propan-2-yl 6-[3-[(4-bromophenyl)carbamoylamino]phenyl]-4-methyl-2-oxidanylidene-3-propyl-1,6-dihydropyrimidine-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)NC3=CC=C(C=C3)Br)C(=O)OC(C)C)C

Isomeric SMILES

CCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)NC3=CC=C(C=C3)Br)C(=O)OC(C)C)C

InChI

InChI=1S/C25H29BrN4O4/c1-5-13-30-16(4)21(23(31)34-15(2)3)22(29-25(30)33)17-7-6-8-20(14-17)28-24(32)27-19-11-9-18(26)10-12-19/h6-12,14-15,22H,5,13H2,1-4H3,(H,29,33)(H2,27,28,32)