ethyl 4-[2-[(4-bromophenyl)amino]-6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl]butanoate

Systemtic Name: ethyl 4-[2-[(4-bromophenyl)amino]-6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl]butanoate Openeye Name: ethyl 4-[2-(4-bromoanilino)-6,7-dimethoxy-4-oxo-quinazolin-3-yl]butanoate CAS Name: 4-[2-(4-bromoanilino)-6,7-dimethoxy-4-oxo-3-quinazolinyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-bromoanilino)-6,7-dimethoxy-4-oxoquinazolin-3-yl]butanoate Traditional Name: 4-[2-(4-bromoanilino)-4-keto-6,7-dimethoxy-quinazolin-3-yl]butyric acid ethyl ester Formula: C22H24BrN3O5 MolecularWeight: 490.34706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C(=O)C2=CC(=C(C=C2N=C1NC3=CC=C(C=C3)Br)OC)OC

Isomeric SMILES

CCOC(=O)CCCN1C(=O)C2=CC(=C(C=C2N=C1NC3=CC=C(C=C3)Br)OC)OC

InChI

InChI=1S/C22H24BrN3O5/c1-4-31-20(27)6-5-11-26-21(28)16-12-18(29-2)19(30-3)13-17(16)25-22(26)24-15-9-7-14(23)8-10-15/h7-10,12-13H,4-6,11H2,1-3H3,(H,24,25)