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

Systemtic Name: ethyl 3-butyl-6-[3-[(3-chlorophenyl)carbamoylamino]phenyl]-2-oxidanylidene-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-butyl-6-[3-[(3-chlorophenyl)carbamoylamino]phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-6-[3-[[(3-chloroanilino)-oxomethyl]amino]phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-butyl-6-[3-[(3-chlorophenyl)carbamoylamino]phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-6-[3-[(3-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(=CC=C3)Cl)C(=O)OCC)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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