ethyl 6-[3-[(3-bromophenyl)carbonylamino]phenyl]-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[3-[(3-bromophenyl)carbonylamino]phenyl]-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-[3-[(3-bromobenzoyl)amino]phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-[[(3-bromophenyl)-oxomethyl]amino]phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-[(3-bromobenzoyl)amino]phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-[(3-bromobenzoyl)amino]phenyl]-2-keto-3,4-dimethyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H22BrN3O4 MolecularWeight: 472.33178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)Br)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)Br)C)C

InChI

InChI=1S/C22H22BrN3O4/c1-4-30-21(28)18-13(2)26(3)22(29)25-19(18)14-7-6-10-17(12-14)24-20(27)15-8-5-9-16(23)11-15/h5-12,19H,4H2,1-3H3,(H,24,27)(H,25,29)