[(2R,3S,5R)-5-[2,4-bis(oxidanylidene)-1H-quinazolin-6-yl]-2-[[[(2R,3S,5R)-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate

Systemtic Name: [(2R,3S,5R)-5-[2,4-bis(oxidanylidene)-1H-quinazolin-6-yl]-2-[[[(2R,3S,5R)-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate Openeye Name: [(2R,3S,5R)-5-(2,4-dioxo-1H-quinazolin-6-yl)-3-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl]oxy-tetrahydrofuran-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] hydrogen phosphate CAS Name: [(2R,3S,5R)-5-(2,4-dioxo-1H-quinazolin-6-yl)-3-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy]phosphoryl]oxy-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)-5-(2,4-dioxo-1H-quinazolin-6-yl)-3-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyoxolan-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)-3-[[(2R,3S,5R)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(2,4-diketo-1H-quinazolin-6-yl)tetrahydrofuran-2-yl]methyl [(2R,3S,5R)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl] hydrogen phosphate Formula: C33H40N6O19P2 MolecularWeight: 886.647022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4CO)N5C=C(C(=O)NC5=O)C)C6=CC7=C(C=C6)NC(=O)NC7=O)O

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=O)(O)O[C@H]4C[C@@H](O[C@@H]4CO)N5C=C(C(=O)NC5=O)C)C6=CC7=C(C=C6)NC(=O)NC7=O)O

InChI

InChI=1S/C33H40N6O19P2/c1-14-9-38(32(46)36-28(14)42)26-6-19(41)24(56-26)12-52-59(48,49)57-21-7-20(16-3-4-18-17(5-16)30(44)35-31(45)34-18)54-25(21)13-53-60(50,51)58-22-8-27(55-23(22)11-40)39-10-15(2)29(43)37-33(39)47/h3-5,9-10,19-27,40-41H,6-8,11-13H2,1-2H3,(H,48,49)(H,50,51)(H,36,42,46)(H,37,43,47)(H2,34,35,44,45)/t19-,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1