6-(8-oxidanylidene-4,7-dihydroimidazo[4,5-d][1,3]diazepin-1-yl)hexylphosphonic acid

Systemtic Name: 6-(8-oxidanylidene-4,7-dihydroimidazo[4,5-d][1,3]diazepin-1-yl)hexylphosphonic acid Openeye Name: 6-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-1-yl)hexylphosphonic acid CAS Name: 6-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-1-yl)hexylphosphonic acid IUPAC Name: 6-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-1-yl)hexylphosphonic acid Traditional Name: 6-(8-keto-4,7-dihydroimidazo[4,5-d][1,3]diazepin-1-yl)hexylphosphonic acid Formula: C12H19N4O4P MolecularWeight: 314.277421

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C2=C(NC=N1)N=CN2CCCCCCP(=O)(O)O

Isomeric SMILES

C1C(=O)C2=C(NC=N1)N=CN2CCCCCCP(=O)(O)O

InChI

InChI=1S/C12H19N4O4P/c17-10-7-13-8-14-12-11(10)16(9-15-12)5-3-1-2-4-6-21(18,19)20/h8-9H,1-7H2,(H,13,14)(H2,18,19,20)