[2-(6-oxidanylidene-3H-purin-9-yl)-3-(phosphonomethoxy)propoxy]methylphosphonic acid

Systemtic Name: [2-(6-oxidanylidene-3H-purin-9-yl)-3-(phosphonomethoxy)propoxy]methylphosphonic acid Openeye Name: [2-(6-oxo-3H-purin-9-yl)-3-(phosphonomethoxy)propoxy]methylphosphonic acid CAS Name: [2-(6-oxo-3H-purin-9-yl)-3-(phosphonomethoxy)propoxy]methylphosphonic acid IUPAC Name: [2-(6-oxo-3H-purin-9-yl)-3-(phosphonomethoxy)propoxy]methylphosphonic acid Traditional Name: [2-(6-keto-3H-purin-9-yl)-3-(phosphonomethoxy)propoxy]methylphosphonic acid Formula: C10H16N4O9P2 MolecularWeight: 398.202962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=O)C2=C(N1)N(C=N2)C(COCP(=O)(O)O)COCP(=O)(O)O

Isomeric SMILES

C1=NC(=O)C2=C(N1)N(C=N2)C(COCP(=O)(O)O)COCP(=O)(O)O

InChI

InChI=1S/C10H16N4O9P2/c15-10-8-9(11-3-12-10)14(4-13-8)7(1-22-5-24(16,17)18)2-23-6-25(19,20)21/h3-4,7H,1-2,5-6H2,(H,11,12,15)(H2,16,17,18)(H2,19,20,21)