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

Systemtic Name: propan-2-yl 4-methyl-2-oxidanylidene-6-[3-(2-phenylsulfanylethanoylamino)phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 4-methyl-2-oxo-6-[3-[(2-phenylsulfanylacetyl)amino]phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-methyl-2-oxo-6-[3-[[1-oxo-2-(phenylthio)ethyl]amino]phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-methyl-2-oxo-6-[3-[(2-phenylsulfanylacetyl)amino]phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 2-keto-4-methyl-6-[3-[[2-(phenylthio)acetyl]amino]phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)CSC3=CC=CC=C3)C(=O)OC(C)C)C

Isomeric SMILES

CCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)CSC3=CC=CC=C3)C(=O)OC(C)C)C

InChI

InChI=1S/C26H31N3O4S/c1-5-14-29-18(4)23(25(31)33-17(2)3)24(28-26(29)32)19-10-9-11-20(15-19)27-22(30)16-34-21-12-7-6-8-13-21/h6-13,15,17,24H,5,14,16H2,1-4H3,(H,27,30)(H,28,32)