methyl 6-[3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]hexanoate

Systemtic Name: methyl 6-[3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]hexanoate Openeye Name: methyl 6-[3-(6-bromo-4-oxo-quinazolin-3-yl)propanoylamino]hexanoate CAS Name: 6-[[3-(6-bromo-4-oxo-3-quinazolinyl)-1-oxopropyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoylamino]hexanoate Traditional Name: 6-[3-(6-bromo-4-keto-quinazolin-3-yl)propanoylamino]hexanoic acid methyl ester Formula: C18H22BrN3O4 MolecularWeight: 424.28898

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)CCN1C=NC2=C(C1=O)C=C(C=C2)Br

Isomeric SMILES

COC(=O)CCCCCNC(=O)CCN1C=NC2=C(C1=O)C=C(C=C2)Br

InChI

InChI=1S/C18H22BrN3O4/c1-26-17(24)5-3-2-4-9-20-16(23)8-10-22-12-21-15-7-6-13(19)11-14(15)18(22)25/h6-7,11-12H,2-5,8-10H2,1H3,(H,20,23)