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

Systemtic Name: propan-2-yl 3-butyl-4-methyl-2-oxidanylidene-6-[3-(2-phenylsulfanylethanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 3-butyl-4-methyl-2-oxo-6-[3-[(2-phenylsulfanylacetyl)amino]phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-4-methyl-2-oxo-6-[3-[[1-oxo-2-(phenylthio)ethyl]amino]phenyl]-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-butyl-4-methyl-2-oxo-6-[3-[(2-phenylsulfanylacetyl)amino]phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-2-keto-4-methyl-6-[3-[[2-(phenylthio)acetyl]amino]phenyl]-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C27H33N3O4S MolecularWeight: 495.63362

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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)OC(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O4S/c1-5-6-15-30-19(4)24(26(32)34-18(2)3)25(29-27(30)33)20-11-10-12-21(16-20)28-23(31)17-35-22-13-8-7-9-14-22/h7-14,16,18,25H,5-6,15,17H2,1-4H3,(H,28,31)(H,29,33)