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

Systemtic Name: ethyl 6-[3-[(4-bromophenyl)carbamoylamino]phenyl]-3-butyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-[3-[(4-bromophenyl)carbamoylamino]phenyl]-3-butyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-[[(4-bromoanilino)-oxomethyl]amino]phenyl]-3-butyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-[(4-bromophenyl)carbamoylamino]phenyl]-3-butyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-[(4-bromophenyl)carbamoylamino]phenyl]-3-butyl-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C25H29BrN4O4 MolecularWeight: 529.42616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)NC3=CC=C(C=C3)Br)C(=O)OCC)C

Isomeric SMILES

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)NC3=CC=C(C=C3)Br)C(=O)OCC)C

InChI

InChI=1S/C25H29BrN4O4/c1-4-6-14-30-16(3)21(23(31)34-5-2)22(29-25(30)33)17-8-7-9-20(15-17)28-24(32)27-19-12-10-18(26)11-13-19/h7-13,15,22H,4-6,14H2,1-3H3,(H,29,33)(H2,27,28,32)