3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-[(2,4-dimethylphenyl)methyl]propanamide

Systemtic Name: 3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-[(2,4-dimethylphenyl)methyl]propanamide Openeye Name: 3-(6-bromo-4-oxo-quinazolin-3-yl)-N-[(2,4-dimethylphenyl)methyl]propanamide CAS Name: 3-(6-bromo-4-oxo-3-quinazolinyl)-N-[(2,4-dimethylphenyl)methyl]propanamide IUPAC Name: 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2,4-dimethylphenyl)methyl]propanamide Traditional Name: 3-(6-bromo-4-keto-quinazolin-3-yl)-N-(2,4-dimethylbenzyl)propionamide Formula: C20H20BrN3O2 MolecularWeight: 414.2957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CNC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)CNC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br)C

InChI

InChI=1S/C20H20BrN3O2/c1-13-3-4-15(14(2)9-13)11-22-19(25)7-8-24-12-23-18-6-5-16(21)10-17(18)20(24)26/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,22,25)