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

Systemtic Name: sodium 6-(8-oxidanyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-1-yl)hexanoate Openeye Name: sodium 6-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-1-yl)hexanoate CAS Name: sodium 6-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-1-yl)hexanoate IUPAC Name: sodium 6-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-1-yl)hexanoate Traditional Name: sodium 6-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-1-yl)hexanoate Formula: C12H17N4NaO3 MolecularWeight: 288.27815

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(NC=N1)N=CN2CCCCCC(=O)[O-])O.[Na+]

Isomeric SMILES

C1C(C2=C(NC=N1)N=CN2CCCCCC(=O)[O-])O.[Na+]

InChI

InChI=1S/C12H18N4O3.Na/c17-9-6-13-7-14-12-11(9)16(8-15-12)5-3-1-2-4-10(18)19;/h7-9,17H,1-6H2,(H,13,14)(H,18,19);/q;+1/p-1