sodium 5-(8-oxidanyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)pentanoate

Systemtic Name: sodium 5-(8-oxidanyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)pentanoate Openeye Name: sodium 5-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)pentanoate CAS Name: sodium 5-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)pentanoate IUPAC Name: sodium 5-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)pentanoate Traditional Name: sodium 5-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)valerate Formula: C11H15N4NaO3 MolecularWeight: 274.25157

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(NC=N1)N(C=N2)CCCCC(=O)[O-])O.[Na+]

Isomeric SMILES

C1C(C2=C(NC=N1)N(C=N2)CCCCC(=O)[O-])O.[Na+]

InChI

InChI=1S/C11H16N4O3.Na/c16-8-5-12-6-13-11-10(8)14-7-15(11)4-2-1-3-9(17)18;/h6-8,16H,1-5H2,(H,12,13)(H,17,18);/q;+1/p-1