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

Systemtic Name: 2-methylpropyl 6-[4-[(3-bromophenyl)carbamoylamino]phenyl]-3-butyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 6-[4-[(3-bromophenyl)carbamoylamino]phenyl]-3-butyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[4-[[(3-bromoanilino)-oxomethyl]amino]phenyl]-3-butyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 6-[4-[(3-bromophenyl)carbamoylamino]phenyl]-3-butyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[4-[(3-bromophenyl)carbamoylamino]phenyl]-3-butyl-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C27H33BrN4O4 MolecularWeight: 557.47932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33BrN4O4/c1-5-6-14-32-18(4)23(25(33)36-16-17(2)3)24(31-27(32)35)19-10-12-21(13-11-19)29-26(34)30-22-9-7-8-20(28)15-22/h7-13,15,17,24H,5-6,14,16H2,1-4H3,(H,31,35)(H2,29,30,34)