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

Systemtic Name: ethyl 6-[3-[(4-bromophenyl)carbonylamino]phenyl]-3-butyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-[3-[(4-bromobenzoyl)amino]phenyl]-3-butyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-[[(4-bromophenyl)-oxomethyl]amino]phenyl]-3-butyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-[(4-bromobenzoyl)amino]phenyl]-3-butyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-[(4-bromobenzoyl)amino]phenyl]-3-butyl-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C25H28BrN3O4 MolecularWeight: 514.41152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)Br)C(=O)OCC)C

Isomeric SMILES

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)Br)C(=O)OCC)C

InChI

InChI=1S/C25H28BrN3O4/c1-4-6-14-29-16(3)21(24(31)33-5-2)22(28-25(29)32)18-8-7-9-20(15-18)27-23(30)17-10-12-19(26)13-11-17/h7-13,15,22H,4-6,14H2,1-3H3,(H,27,30)(H,28,32)