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

Systemtic Name: methyl 4-[[3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[3-(6-bromo-4-oxo-quinazolin-3-yl)propanoylamino]methyl]benzoate CAS Name: 4-[[[3-(6-bromo-4-oxo-3-quinazolinyl)-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(6-bromo-4-oxoquinazolin-3-yl)propanoylamino]methyl]benzoate Traditional Name: 4-[[3-(6-bromo-4-keto-quinazolin-3-yl)propanoylamino]methyl]benzoic acid methyl ester Formula: C20H18BrN3O4 MolecularWeight: 444.27862

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C20H18BrN3O4/c1-28-20(27)14-4-2-13(3-5-14)11-22-18(25)8-9-24-12-23-17-7-6-15(21)10-16(17)19(24)26/h2-7,10,12H,8-9,11H2,1H3,(H,22,25)