1-[(2R,4S,5R)-5-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)oxolan-3-yl]oxy-sulfanyl-phosphoryl]oxymethyl]-4-[[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphinothioyl]oxy-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione

Systemtic Name: 1-[(2R,4S,5R)-5-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)oxolan-3-yl]oxy-sulfanyl-phosphoryl]oxymethyl]-4-[[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphinothioyl]oxy-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione Openeye Name: 1-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethyl]tetrahydrofuran-3-yl]oxy-sulfanyl-phosphoryl]oxymethyl]-4-[[(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphinothioyl]oxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione CAS Name: 1-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-2-[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-oxolanyl]oxy-mercaptophosphoryl]oxymethyl]-4-[[(2R,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphinothioyl]oxy-2-oxolanyl]-5-methylpyrimidine-2,4-dione IUPAC Name: 1-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]-4-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione Traditional Name: 1-[(2R,4S,5R)-5-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-adenin-9-yl-2-methylol-tetrahydrofuran-3-yl]oxy-hydroxy-thiophosphoryl]oxymethyl]-5-(4-amino-2-keto-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxy-mercapto-phosphoryl]oxymethyl]-4-[[(2R,3S,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-thiophosphoryl]oxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone Formula: C38H50N13O19P3S3 MolecularWeight: 1181.995583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(OC3CC(OC3COP(=S)(O)OC4CC(OC4CO)N5C=NC6=C5N=CN=C6N)N7C=CC(=NC7=O)N)S)OP(=S)(O)OCC8C(CC(O8)N9C=CC(=NC9=O)N)O

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O[C@H]3C[C@@H](O[C@@H]3COP(=S)(O)O[C@H]4C[C@@H](O[C@@H]4CO)N5C=NC6=C5N=CN=C6N)N7C=CC(=NC7=O)N)S)OP(=S)(O)OC[C@@H]8[C@H](C[C@@H](O8)N9C=CC(=NC9=O)N)O

InChI

InChI=1S/C38H50N13O19P3S3/c1-17-10-50(38(57)47-35(17)54)30-9-21(70-71(58,74)61-12-23-18(53)6-28(65-23)48-4-2-26(39)45-36(48)55)25(67-30)14-63-73(60,76)69-20-8-29(49-5-3-27(40)46-37(49)56)66-24(20)13-62-72(59,75)68-19-7-31(64-22(19)11-52)51-16-44-32-33(41)42-15-43-34(32)51/h2-5,10,15-16,18-25,28-31,52-53H,6-9,11-14H2,1H3,(H,58,74)(H,59,75)(H,60,76)(H2,39,45,55)(H2,40,46,56)(H2,41,42,43)(H,47,54,57)/t18-,19-,20-,21-,22+,23+,24+,25+,28+,29+,30+,31+,71?,72?,73?/m0/s1