9-[4-[[3-[[5-(6-aminopurin-9-yl)-3-[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanidyl-phosphinothioyl]oxy-oxolan-2-yl]methoxy-sulfanidyl-phosphoryl]oxy-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)oxolan-2-yl]methoxy-oxidanidyl-phosphinothioyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-2-azanyl-3H-purin-6-one

Systemtic Name: 9-[4-[[3-[[5-(6-aminopurin-9-yl)-3-[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanidyl-phosphinothioyl]oxy-oxolan-2-yl]methoxy-sulfanidyl-phosphoryl]oxy-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)oxolan-2-yl]methoxy-oxidanidyl-phosphinothioyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-2-azanyl-3H-purin-6-one Openeye Name: 2-amino-9-[4-[[5-(4-amino-2-oxo-pyrimidin-1-yl)-3-[[3-[[5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphinothioyl]oxy-5-(6-aminopurin-9-yl)tetrahydrofuran-2-yl]methoxy-sulfido-phosphoryl]oxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphinothioyl]oxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[4-[[5-(4-amino-2-oxo-1-pyrimidinyl)-3-[[3-[[5-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-2-oxolanyl]methoxy-sulfidophosphoryl]oxy-2-oxolanyl]methoxy-oxidophosphinothioyl]oxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[4-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-sulfidophosphoryl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 9-[4-[[3-[[5-adenin-9-yl-3-[[5-(4-amino-2-keto-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-oxido-thiophosphoryl]oxy-tetrahydrofuran-2-yl]methoxy-sulfido-phosphoryl]oxy-5-(4-amino-2-keto-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-oxido-thiophosphoryl]oxy-5-methylol-tetrahydrofuran-2-yl]-2-amino-3H-purin-6-one Formula: C38H46N16O18P3S3-3 MolecularWeight: 1203.984523

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=CC(=NC2=O)N)COP(=S)([O-])OC3CC(OC3COP(=O)(OC4CC(OC4COP(=S)([O-])OC5CC(OC5CO)N6C=NC7=C6NC(=NC7=O)N)N8C=CC(=NC8=O)N)[S-])N9C=NC1=C9N=CN=C1N)O

Isomeric SMILES

C1C(C(OC1N2C=CC(=NC2=O)N)COP(=S)([O-])OC3CC(OC3COP(=O)(OC4CC(OC4COP(=S)([O-])OC5CC(OC5CO)N6C=NC7=C6NC(=NC7=O)N)N8C=CC(=NC8=O)N)[S-])N9C=NC1=C9N=CN=C1N)O

InChI

InChI=1S/C38H49N16O18P3S3/c39-24-1-3-51(37(58)47-24)26-5-16(56)21(67-26)10-63-73(60,76)72-19-8-28(53-14-45-30-32(41)43-13-44-33(30)53)69-23(19)12-65-75(62,78)71-18-7-27(52-4-2-25(40)48-38(52)59)68-22(18)11-64-74(61,77)70-17-6-29(66-20(17)9-55)54-15-46-31-34(54)49-36(42)50-35(31)57/h1-4,13-23,26-29,55-56H,5-12H2,(H,60,76)(H,61,77)(H,62,78)(H2,39,47,58)(H2,40,48,59)(H2,41,43,44)(H3,42,49,50,57)/p-3