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

Systemtic Name: 9-[4-[[5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphinothioyl]oxy-5-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]oxolan-2-yl]-2-azanyl-3H-purin-6-one Openeye Name: 2-amino-9-[5-[[[5-(4-amino-2-oxo-pyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethyl]-4-[[5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphinothioyl]oxy-tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[5-[[[5-(4-amino-2-oxo-1-pyrimidinyl)-2-(hydroxymethyl)-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-[[5-(6-aminopurin-9-yl)-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphinothioyl]oxy-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[5-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]-3H-purin-6-one Traditional Name: 9-[4-[(5-adenin-9-yl-3-hydroxy-tetrahydrofuran-2-yl)methoxy-hydroxy-thiophosphoryl]oxy-5-[[[5-(4-amino-2-keto-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl]oxy-hydroxy-thiophosphoryl]oxymethyl]tetrahydrofuran-2-yl]-2-amino-3H-purin-6-one Formula: C29H37N13O13P2S2 MolecularWeight: 901.760902

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN=C3N)COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5CO)N6C=CC(=NC6=O)N)N7C=NC8=C7NC(=NC8=O)N)O

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2N=CN=C3N)COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5CO)N6C=CC(=NC6=O)N)N7C=NC8=C7NC(=NC8=O)N)O

InChI

InChI=1S/C29H37N13O13P2S2/c30-18-1-2-40(29(46)37-18)20-4-13(15(6-43)51-20)54-57(48,59)50-8-17-14(5-21(53-17)42-11-36-23-26(42)38-28(32)39-27(23)45)55-56(47,58)49-7-16-12(44)3-19(52-16)41-10-35-22-24(31)33-9-34-25(22)41/h1-2,9-17,19-21,43-44H,3-8H2,(H,47,58)(H,48,59)(H2,30,37,46)(H2,31,33,34)(H3,32,38,39,45)