2-azanyl-9-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-sulfanyl-phosphinothioyl]oxymethyl]-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-sulfanyl-phosphinothioyl]oxymethyl]-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-sulfanyl-phosphinothioyl]oxymethyl]-4-hydroxy-tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)-3-oxolanyl]oxy-mercaptophosphinothioyl]oxymethyl]-4-hydroxy-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-sulfanylphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(2-amino-6-keto-3H-purin-9-yl)-2-methylol-tetrahydrofuran-3-yl]oxy-mercapto-thiophosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C20H25N10O8PS2 MolecularWeight: 628.578461

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)COP(=S)(OC4CC(OC4CO)N5C=NC6=C5NC(=NC6=O)N)S)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=O)N)COP(=S)(O[C@H]4C[C@@H](O[C@@H]4CO)N5C=NC6=C5NC(=NC6=O)N)S)O

InChI

InChI=1S/C20H25N10O8PS2/c21-19-25-15-13(17(33)27-19)23-5-29(15)11-1-7(32)10(37-11)4-35-39(40,41)38-8-2-12(36-9(8)3-31)30-6-24-14-16(30)26-20(22)28-18(14)34/h5-12,31-32H,1-4H2,(H,40,41)(H3,21,25,27,33)(H3,22,26,28,34)/t7-,8-,9+,10+,11+,12+/m0/s1