[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-ethoxycarbonyl-phosphinic acid

Systemtic Name: [5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-ethoxycarbonyl-phosphinic acid Openeye Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-ethoxycarbonyl-phosphinic acid CAS Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-ethoxycarbonylphosphinic acid IUPAC Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-ethoxycarbonylphosphinic acid Traditional Name: [5-(2-amino-6-keto-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-carbethoxy-phosphinic acid Formula: C13H18N5O9P MolecularWeight: 419.283881

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)P(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2NC(=NC3=O)N)O)O

Isomeric SMILES

CCOC(=O)P(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2NC(=NC3=O)N)O)O

InChI

InChI=1S/C13H18N5O9P/c1-2-25-13(22)28(23,24)26-3-5-7(19)8(20)11(27-5)18-4-15-6-9(18)16-12(14)17-10(6)21/h4-5,7-8,11,19-20H,2-3H2,1H3,(H,23,24)(H3,14,16,17,21)