[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-[bis(oxidanyl)phosphinothioyloxymethyl]oxolan-3-yl] dihydrogen phosphate

Systemtic Name: [5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-[bis(oxidanyl)phosphinothioyloxymethyl]oxolan-3-yl] dihydrogen phosphate Openeye Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-2-(dihydroxyphosphinothioyloxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate CAS Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-2-(dihydroxyphosphinothioyloxymethyl)-3-oxolanyl] dihydrogen phosphate IUPAC Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-2-(dihydroxyphosphinothioyloxymethyl)oxolan-3-yl] dihydrogen phosphate Traditional Name: [5-(2-amino-6-keto-3H-purin-9-yl)-2-(dihydroxythiophosphoryloxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate Formula: C10H15N5O9P2S MolecularWeight: 443.266722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)COP(=S)(O)O)OP(=O)(O)O

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)COP(=S)(O)O)OP(=O)(O)O

InChI

InChI=1S/C10H15N5O9P2S/c11-10-13-8-7(9(16)14-10)12-3-15(8)6-1-4(24-25(17,18)19)5(23-6)2-22-26(20,21)27/h3-6H,1-2H2,(H2,17,18,19)(H2,20,21,27)(H3,11,13,14,16)