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

Systemtic Name: ethyl 3-butyl-6-[3-[(3-cyanophenyl)carbamoylamino]phenyl]-2-oxidanylidene-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-butyl-6-[3-[(3-cyanophenyl)carbamoylamino]phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-6-[3-[[(3-cyanoanilino)-oxomethyl]amino]phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-butyl-6-[3-[(3-cyanophenyl)carbamoylamino]phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-6-[3-[(3-cyanophenyl)carbamoylamino]phenyl]-2-keto-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C31H31N5O4 MolecularWeight: 537.60894

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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)C#N)C(=O)OCC)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C31H31N5O4/c1-3-5-17-36-28(22-12-7-6-8-13-22)26(29(37)40-4-2)27(35-31(36)39)23-14-10-16-25(19-23)34-30(38)33-24-15-9-11-21(18-24)20-32/h6-16,18-19,27H,3-5,17H2,1-2H3,(H,35,39)(H2,33,34,38)