6-(8-oxidanyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)hexylphosphonic acid

Systemtic Name: 6-(8-oxidanyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)hexylphosphonic acid Openeye Name: 6-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)hexylphosphonic acid CAS Name: 6-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)hexylphosphonic acid IUPAC Name: 6-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)hexylphosphonic acid Traditional Name: 6-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)hexylphosphonic acid Formula: C12H21N4O4P MolecularWeight: 316.293301

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(NC=N1)N(C=N2)CCCCCCP(=O)(O)O)O

Isomeric SMILES

C1C(C2=C(NC=N1)N(C=N2)CCCCCCP(=O)(O)O)O

InChI

InChI=1S/C12H21N4O4P/c17-10-7-13-8-14-12-11(10)15-9-16(12)5-3-1-2-4-6-21(18,19)20/h8-10,17H,1-7H2,(H,13,14)(H2,18,19,20)