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

Systemtic Name: [5-(6-aminopurin-9-yl)-3-[[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-[[5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxolan-2-yl]methyl [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate Openeye Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-2-[[[2-[[[5-(4-amino-2-oxo-pyrimidin-1-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] [3-hydroxy-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-[[[2-[[[5-(4-amino-2-oxo-1-pyrimidinyl)-2-(phosphonooxymethyl)-3-oxolanyl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-3-oxolanyl]oxy-hydroxyphosphoryl]oxymethyl]-3-oxolanyl] [3-hydroxy-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-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate Traditional Name: [5-adenin-9-yl-3-[[5-(2-amino-6-keto-3H-purin-9-yl)-3-[[5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-tetrahydrofuran-2-yl]methyl [5-(4-amino-2-keto-pyrimidin-1-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate Formula: C39H51N15O25P4 MolecularWeight: 1253.802784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5COP(=O)(O)O)N6C=CC(=NC6=O)N)N7C=NC8=C7N=CN=C8N)N9C=NC1=C9NC(=NC1=O)N)O

Isomeric SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5COP(=O)(O)O)N6C=CC(=NC6=O)N)N7C=NC8=C7N=CN=C8N)N9C=NC1=C9NC(=NC1=O)N)O

InChI

InChI=1S/C39H51N15O25P4/c1-16-8-52(39(59)50-35(16)56)26-4-17(55)21(73-26)9-70-81(63,64)78-20-7-29(54-15-46-31-34(54)48-37(42)49-36(31)57)76-24(20)12-72-83(67,68)79-19-6-28(53-14-45-30-32(41)43-13-44-33(30)53)75-23(19)11-71-82(65,66)77-18-5-27(51-3-2-25(40)47-38(51)58)74-22(18)10-69-80(60,61)62/h2-3,8,13-15,17-24,26-29,55H,4-7,9-12H2,1H3,(H,63,64)(H,65,66)(H,67,68)(H2,40,47,58)(H2,41,43,44)(H,50,56,59)(H2,60,61,62)(H3,42,48,49,57)