[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-[[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphinothioyl]oxy-oxolan-2-yl]methyl dihydrogen phosphate

Systemtic Name: [5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-[[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphinothioyl]oxy-oxolan-2-yl]methyl dihydrogen phosphate Openeye Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3-[[5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphinothioyl]oxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate CAS Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3-[[5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphinothioyl]oxy-2-oxolanyl]methyl dihydrogen phosphate IUPAC Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3-[[5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methyl dihydrogen phosphate Traditional Name: [5-(2-amino-6-keto-3H-purin-9-yl)-3-[[5-(2-amino-6-keto-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-thiophosphoryl]oxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate Formula: C20H26N10O12P2S MolecularWeight: 692.492762

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)COP(=S)(O)OC4CC(OC4COP(=O)(O)O)N5C=NC6=C5NC(=NC6=O)N)O

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)COP(=S)(O)OC4CC(OC4COP(=O)(O)O)N5C=NC6=C5NC(=NC6=O)N)O

InChI

InChI=1S/C20H26N10O12P2S/c21-19-25-15-13(17(32)27-19)23-5-29(15)11-1-7(31)9(40-11)3-39-44(37,45)42-8-2-12(41-10(8)4-38-43(34,35)36)30-6-24-14-16(30)26-20(22)28-18(14)33/h5-12,31H,1-4H2,(H,37,45)(H2,34,35,36)(H3,21,25,27,32)(H3,22,26,28,33)