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

Systemtic Name: sodium 6-(8-oxidanylidene-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)hexanoate Openeye Name: sodium 6-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)hexanoate CAS Name: sodium 6-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)hexanoate IUPAC Name: sodium 6-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)hexanoate Traditional Name: sodium 6-(8-keto-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)hexanoate Formula: C12H15N4NaO3 MolecularWeight: 286.26227

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O3.Na/c17-9-6-13-7-14-12-11(9)15-8-16(12)5-3-1-2-4-10(18)19;/h7-8H,1-6H2,(H,13,14)(H,18,19);/q;+1/p-1