methyl 5-(8-oxidanylidene-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)pentanoate

Systemtic Name: methyl 5-(8-oxidanylidene-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)pentanoate Openeye Name: methyl 5-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)pentanoate CAS Name: 5-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)pentanoic acid methyl ester IUPAC Name: methyl 5-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)pentanoate Traditional Name: 5-(8-keto-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)valeric acid methyl ester Formula: C12H16N4O3 MolecularWeight: 264.28044

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCN1C=NC2=C1NC=NCC2=O

Isomeric SMILES

COC(=O)CCCCN1C=NC2=C1NC=NCC2=O

InChI

InChI=1S/C12H16N4O3/c1-19-10(18)4-2-3-5-16-8-15-11-9(17)6-13-7-14-12(11)16/h7-8H,2-6H2,1H3,(H,13,14)