N-[2-[(3-bromanyl-4-methoxy-phenyl)carbonylamino]ethyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide

Systemtic Name: N-[2-[(3-bromanyl-4-methoxy-phenyl)carbonylamino]ethyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[2-[(3-bromo-4-methoxy-benzoyl)amino]ethyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[2-[[(3-bromo-4-methoxyphenyl)-oxomethyl]amino]ethyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[2-[(3-bromo-4-methoxy-benzoyl)amino]ethyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C19H17BrN4O4 MolecularWeight: 445.26668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)Br

InChI

InChI=1S/C19H17BrN4O4/c1-28-15-7-6-11(10-13(15)20)17(25)21-8-9-22-19(27)16-23-14-5-3-2-4-12(14)18(26)24-16/h2-7,10H,8-9H2,1H3,(H,21,25)(H,22,27)(H,23,24,26)