3-[4-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphinothioyl]oxy-oxolan-2-yl]methoxy-oxidanyl-phosphinothioyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-2-azanyl-1,7-dihydropurin-3-ium-6-one

Systemtic Name: 3-[4-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphinothioyl]oxy-oxolan-2-yl]methoxy-oxidanyl-phosphinothioyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-2-azanyl-1,7-dihydropurin-3-ium-6-one Openeye Name: 2-amino-3-[4-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphinothioyl]oxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphinothioyl]oxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,7-dihydropurin-3-ium-6-one CAS Name: 2-amino-3-[4-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphinothioyl]oxy-2-oxolanyl]methoxy-hydroxyphosphinothioyl]oxy-5-(hydroxymethyl)-2-oxolanyl]-1,7-dihydropurin-3-ium-6-one IUPAC Name: 2-amino-3-[4-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-1,7-dihydropurin-3-ium-6-one Traditional Name: 3-[4-[[5-adenin-9-yl-3-[(5-adenin-9-yl-3-hydroxy-tetrahydrofuran-2-yl)methoxy-hydroxy-thiophosphoryl]oxy-tetrahydrofuran-2-yl]methoxy-hydroxy-thiophosphoryl]oxy-5-methylol-tetrahydrofuran-2-yl]-2-amino-1,7-dihydropurin-3-ium-6-one Formula: C30H38N15O12P2S2+ MolecularWeight: 926.793542

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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)[N+]6=C(NC(=O)C7=C6N=CN7)N)N8C=NC9=C8N=CN=C9N)O

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2N=CN=C3N)COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5CO)[N+]6=C(NC(=O)C7=C6N=CN7)N)N8C=NC9=C8N=CN=C9N)O

InChI

InChI=1S/C30H37N15O12P2S2/c31-24-21-26(37-8-35-24)43(10-40-21)18-1-12(47)16(54-18)5-51-58(49,60)57-14-2-19(44-11-41-22-25(32)36-9-38-27(22)44)55-17(14)6-52-59(50,61)56-13-3-20(53-15(13)4-46)45-28-23(34-7-39-28)29(48)42-30(45)33/h7-20,46-47H,1-6H2,(H9,31,32,33,34,35,36,37,38,39,42,48,49,50,60,61)/p+1