8-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)octylphosphonic acid

Systemtic Name: 8-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)octylphosphonic acid Openeye Name: 8-(2-amino-6-oxo-3H-purin-9-yl)octylphosphonic acid CAS Name: 8-(2-amino-6-oxo-3H-purin-9-yl)octylphosphonic acid IUPAC Name: 8-(2-amino-6-oxo-3H-purin-9-yl)octylphosphonic acid Traditional Name: 8-(2-amino-6-keto-3H-purin-9-yl)octylphosphonic acid Formula: C13H22N5O4P MolecularWeight: 343.318641

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCCCCCCCP(=O)(O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1CCCCCCCCP(=O)(O)O)NC(=NC2=O)N

InChI

InChI=1S/C13H22N5O4P/c14-13-16-11-10(12(19)17-13)15-9-18(11)7-5-3-1-2-4-6-8-23(20,21)22/h9H,1-8H2,(H2,20,21,22)(H3,14,16,17,19)