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

Systemtic Name: methyl 5-(8-oxidanyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-1-yl)pentanoate Openeye Name: methyl 5-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-1-yl)pentanoate CAS Name: 5-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-1-yl)pentanoic acid methyl ester IUPAC Name: methyl 5-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-1-yl)pentanoate Traditional Name: 5-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-1-yl)valeric acid methyl ester Formula: C12H18N4O3 MolecularWeight: 266.29632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCN1C=NC2=C1C(CN=CN2)O

Isomeric SMILES

COC(=O)CCCCN1C=NC2=C1C(CN=CN2)O

InChI

InChI=1S/C12H18N4O3/c1-19-10(18)4-2-3-5-16-8-15-12-11(16)9(17)6-13-7-14-12/h7-9,17H,2-6H2,1H3,(H,13,14)