[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-N-(2-sulfanylethyl)phosphonamidic acid

Systemtic Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-N-(2-sulfanylethyl)phosphonamidic acid Openeye Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-N-(2-sulfanylethyl)phosphonamidic acid CAS Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-N-(2-mercaptoethyl)phosphonamidic acid IUPAC Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-N-(2-sulfanylethyl)phosphonamidic acid Traditional Name: [[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-N-(2-mercaptoethyl)phosphonamidic acid Formula: C12H20N6O9P2S MolecularWeight: 486.334522

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(NCCS)O)O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(NCCS)O)O)O

InChI

InChI=1S/C12H20N6O9P2S/c13-10-7-11(15-4-14-10)18(5-16-7)12-9(20)8(19)6(26-12)3-25-29(23,24)27-28(21,22)17-1-2-30/h4-6,8-9,12,19-20,30H,1-3H2,(H,23,24)(H2,13,14,15)(H2,17,21,22)/t6-,8-,9-,12-/m1/s1