[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [3-[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl hydrogen phosphate

Systemtic Name: [5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [3-[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl hydrogen phosphate Openeye Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] [3-[[5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate CAS Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-2-(phosphonooxymethyl)-3-oxolanyl] [3-[[5-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl hydrogen phosphate IUPAC Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate Traditional Name: [5-(2-amino-6-keto-3H-purin-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] [3-[[5-(4-amino-2-keto-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate Formula: C29H39N10O20P3 MolecularWeight: 940.596243

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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)O)N4C=NC5=C4NC(=NC5=O)N)OP(=O)(O)OCC6C(CC(O6)N7C=CC(=NC7=O)N)O

Isomeric SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)O)N4C=NC5=C4NC(=NC5=O)N)OP(=O)(O)OCC6C(CC(O6)N7C=CC(=NC7=O)N)O

InChI

InChI=1S/C29H39N10O20P3/c1-12-7-38(29(44)36-25(12)41)21-5-14(58-61(48,49)53-8-16-13(40)4-20(55-16)37-3-2-19(30)33-28(37)43)18(56-21)10-54-62(50,51)59-15-6-22(57-17(15)9-52-60(45,46)47)39-11-32-23-24(39)34-27(31)35-26(23)42/h2-3,7,11,13-18,20-22,40H,4-6,8-10H2,1H3,(H,48,49)(H,50,51)(H2,30,33,43)(H,36,41,44)(H2,45,46,47)(H3,31,34,35,42)