7-(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)heptylphosphonic acid

Systemtic Name: 7-(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)heptylphosphonic acid Openeye Name: 7-(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)heptylphosphonic acid CAS Name: 7-(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)heptylphosphonic acid IUPAC Name: 7-(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)heptylphosphonic acid Traditional Name: 7-(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)heptylphosphonic acid Formula: C12H22N5O4P MolecularWeight: 331.307941

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(N1CCCCCCCP(=O)(O)O)NC(=NC2=O)N

Isomeric SMILES

C1NC2=C(N1CCCCCCCP(=O)(O)O)NC(=NC2=O)N

InChI

InChI=1S/C12H22N5O4P/c13-12-15-10-9(11(18)16-12)14-8-17(10)6-4-2-1-3-5-7-22(19,20)21/h14H,1-8H2,(H2,19,20,21)(H3,13,15,16,18)