5-(8-oxidanylidene-4,7-dihydroimidazo[4,5-d][1,3]diazepin-1-yl)pentylphosphonic acid

Systemtic Name: 5-(8-oxidanylidene-4,7-dihydroimidazo[4,5-d][1,3]diazepin-1-yl)pentylphosphonic acid Openeye Name: 5-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-1-yl)pentylphosphonic acid CAS Name: 5-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-1-yl)pentylphosphonic acid IUPAC Name: 5-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-1-yl)pentylphosphonic acid Traditional Name: 5-(8-keto-4,7-dihydroimidazo[4,5-d][1,3]diazepin-1-yl)pentylphosphonic acid Formula: C11H17N4O4P MolecularWeight: 300.250841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C2=C(NC=N1)N=CN2CCCCCP(=O)(O)O

Isomeric SMILES

C1C(=O)C2=C(NC=N1)N=CN2CCCCCP(=O)(O)O

InChI

InChI=1S/C11H17N4O4P/c16-9-6-12-7-13-11-10(9)15(8-14-11)4-2-1-3-5-20(17,18)19/h7-8H,1-6H2,(H,12,13)(H2,17,18,19)