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

Systemtic Name: ethyl 3-butyl-6-[3-[(4-chlorophenyl)carbamoylamino]phenyl]-2-oxidanylidene-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-butyl-6-[3-[(4-chlorophenyl)carbamoylamino]phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-6-[3-[[(4-chloroanilino)-oxomethyl]amino]phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-butyl-6-[3-[(4-chlorophenyl)carbamoylamino]phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-6-[3-[(4-chlorophenyl)carbamoylamino]phenyl]-2-keto-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C30H31ClN4O4 MolecularWeight: 547.04454

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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)Cl)C(=O)OCC)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)NC3=CC=C(C=C3)Cl)C(=O)OCC)C4=CC=CC=C4

InChI

InChI=1S/C30H31ClN4O4/c1-3-5-18-35-27(20-10-7-6-8-11-20)25(28(36)39-4-2)26(34-30(35)38)21-12-9-13-24(19-21)33-29(37)32-23-16-14-22(31)15-17-23/h6-17,19,26H,3-5,18H2,1-2H3,(H,34,38)(H2,32,33,37)