[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-N-pyrrolidin-2-ylcarbonyl-phosphonamidic acid

Systemtic Name: [5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-N-pyrrolidin-2-ylcarbonyl-phosphonamidic acid Openeye Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-N-(pyrrolidine-2-carbonyl)phosphonamidic acid CAS Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-N-[oxo(2-pyrrolidinyl)methyl]phosphonamidic acid IUPAC Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-N-(pyrrolidine-2-carbonyl)phosphonamidic acid Traditional Name: (5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methoxy-N-prolyl-phosphonamidic acid Formula: C15H22N7O7P MolecularWeight: 443.351641

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)NP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O

Isomeric SMILES

C1CC(NC1)C(=O)NP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O

InChI

InChI=1S/C15H22N7O7P/c16-12-9-13(19-5-18-12)22(6-20-9)15-11(24)10(23)8(29-15)4-28-30(26,27)21-14(25)7-2-1-3-17-7/h5-8,10-11,15,17,23-24H,1-4H2,(H2,16,18,19)(H2,21,25,26,27)