[(2R,3S,5R)-3-[[3-(dimethylamino)propylamino]-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[3-(dimethylamino)propylamino]-[[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy]phosphoryl]oxy-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy]phosphoryl]oxy-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(

Systemtic Name: [(2R,3S,5R)-3-[[3-(dimethylamino)propylamino]-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[3-(dimethylamino)propylamino]-[[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy]phosphoryl]oxy-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy]phosphoryl]oxy-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-[5-methyl-2,4-bis( Openeye Name: [(2R,3S,5R)-3-[[3-(dimethylamino)propylamino]-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[3-(dimethylamino)propylamino]-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-y CAS Name: [(2R,3S,5R)-3-[[3-(dimethylamino)propylamino]-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[3-(dimethylamino)propylamino]-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl] hydrogen phosphate IUPAC Name: [(2R,3S,5R)-3-[[3-(dimethylamino)propylamino]-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[3-(dimethylamino)propylamino]-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate Traditional Name: [(2R,3S,5R)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-[3-(dimethylamino)propylamino]phosphoryl]oxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-tetrahydrofuran-2-yl]methoxy-[3-(dimethylamino)propylamino]phosphoryl]oxy-tetrahydrofuran-2-yl]methyl [(2R,3S,5R)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-2-methylol Formula: C60H90N14O31P4 MolecularWeight: 1627.326844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(NCCCN(C)C)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(NCCCN(C)C)OC5CC(OC5COP(=O)(O)OC6CC(OC6CO)N7C=C(C(=O)NC7=O)C)N8C=C(C(=O)NC8=O)C)N9C=C(C(=O)NC9=O)C)N1C=C(C(=O)NC1=O)C)O

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(NCCCN(C)C)O[C@H]3C[C@@H](O[C@@H]3COP(=O)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=O)(NCCCN(C)C)O[C@H]5C[C@@H](O[C@@H]5COP(=O)(O)O[C@H]6C[C@@H](O[C@@H]6CO)N7C=C(C(=O)NC7=O)C)N8C=C(C(=O)NC8=O)C)N9C=C(C(=O)NC9=O)C)N1C=C(C(=O)NC1=O)C)O

InChI

InChI=1S/C60H90N14O31P4/c1-31-21-70(56(82)63-51(31)77)46-16-36(76)42(98-46)27-93-106(87,61-12-10-14-68(6)7)102-38-18-48(72-23-33(3)53(79)65-58(72)84)101-45(38)30-96-109(91,92)105-40-20-50(74-25-35(5)55(81)67-60(74)86)99-43(40)28-94-107(88,62-13-11-15-69(8)9)103-39-19-49(73-24-34(4)54(80)66-59(73)85)100-44(39)29-95-108(89,90)104-37-17-47(97-41(37)26-75)71-22-32(2)52(78)64-57(71)83/h21-25,36-50,75-76H,10-20,26-30H2,1-9H3,(H,61,87)(H,62,88)(H,89,90)(H,91,92)(H,63,77,82)(H,64,78,83)(H,65,79,84)(H,66,80,85)(H,67,81,86)/t36-,37-,38-,39-,40-,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,106?,107?/m0/s1