[(2R,3R,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-[[(2R,3S,5R)-3-[[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]methyl [(2R,3S,5R)-2-[bis(oxidanyl)phosphoryloxymethyl]-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl] hydrogen phosphate

Systemtic Name: [(2R,3R,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-[[(2R,3S,5R)-3-[[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]methyl [(2R,3S,5R)-2-[bis(oxidanyl)phosphoryloxymethyl]-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl] hydrogen phosphate Openeye Name: [(2R,3R,4R,5R)-2-(4-amino-2-oxo-pyrimidin-1-yl)-5-[[[(2R,3S,5R)-2-(dihydroxyphosphoryloxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl] [(2R,3S,5R)-3-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate CAS Name: [(2R,3R,4R,5R)-2-(4-amino-2-oxo-1-pyrimidinyl)-5-[[[(2R,3S,5R)-2-(dihydroxyphosphoryloxymethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxy-3-oxolanyl] [(2R,3S,5R)-3-[[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl hydrogen phosphate IUPAC Name: [(2R,3R,4R,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-5-[[[(2R,3S,5R)-2-(dihydroxyphosphoryloxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] [(2R,3S,5R)-3-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate Traditional Name: [(2R,3R,4R,5R)-2-(4-amino-2-keto-pyrimidin-1-yl)-5-[[[(2R,3S,5R)-2-(dihydroxyphosphoryloxymethyl)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl] [(2R,3S,5R)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate Formula: C38H51N9O30P4 MolecularWeight: 1238.74903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)OP(=O)(O)OCC3C(C(C(O3)N4C=CC(=NC4=O)N)OP(=O)(O)OCC5C(CC(O5)N6C=C(C(=O)NC6=O)C)OP(=O)(O)OCC7C(C(C(O7)N8C=CC(=O)NC8=O)O)O)O

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O[C@@H]3[C@@H]([C@H](O[C@H]3N4C=CC(=NC4=O)N)COP(=O)(O)O[C@H]5C[C@@H](O[C@@H]5CO[32P](=O)(O)O)N6C=C(C(=O)NC6=O)C)O)OP(=O)(O)OC[C@@H]7[C@H]([C@H]([C@@H](O7)N8C=CC(=O)NC8=O)O)O

InChI

InChI=1S/C38H51N9O30P4/c1-15-9-46(37(56)42-31(15)52)25-7-17(19(71-25)11-67-78(58,59)60)75-80(63,64)70-14-22-28(50)30(34(74-22)45-5-3-23(39)40-35(45)54)77-81(65,66)68-12-20-18(8-26(72-20)47-10-16(2)32(53)43-38(47)57)76-79(61,62)69-13-21-27(49)29(51)33(73-21)44-6-4-24(48)41-36(44)55/h3-6,9-10,17-22,25-30,33-34,49-51H,7-8,11-14H2,1-2H3,(H,61,62)(H,63,64)(H,65,66)(H2,39,40,54)(H,41,48,55)(H,42,52,56)(H,43,53,57)(H2,58,59,60)/t17-,18-,19+,20+,21+,22+,25+,26+,27+,28+,29+,30+,33+,34+/m0/s1/i78+1