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

Systemtic Name: ethyl 3-butyl-2-oxidanylidene-4-phenyl-6-[3-(2-phenylsulfanylethanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-butyl-2-oxo-4-phenyl-6-[3-[(2-phenylsulfanylacetyl)amino]phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-2-oxo-6-[3-[[1-oxo-2-(phenylthio)ethyl]amino]phenyl]-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-butyl-2-oxo-4-phenyl-6-[3-[(2-phenylsulfanylacetyl)amino]phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-2-keto-4-phenyl-6-[3-[[2-(phenylthio)acetyl]amino]phenyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C31H33N3O4S MolecularWeight: 543.67642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)CSC3=CC=CC=C3)C(=O)OCC)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)CSC3=CC=CC=C3)C(=O)OCC)C4=CC=CC=C4

InChI

InChI=1S/C31H33N3O4S/c1-3-5-19-34-29(22-13-8-6-9-14-22)27(30(36)38-4-2)28(33-31(34)37)23-15-12-16-24(20-23)32-26(35)21-39-25-17-10-7-11-18-25/h6-18,20,28H,3-5,19,21H2,1-2H3,(H,32,35)(H,33,37)