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

Systemtic Name: methyl 4-methyl-2-oxidanylidene-6-[3-(2-phenylsulfanylethanoylamino)phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O4S/c1-4-13-27-16(2)21(23(29)31-3)22(26-24(27)30)17-9-8-10-18(14-17)25-20(28)15-32-19-11-6-5-7-12-19/h5-12,14,22H,4,13,15H2,1-3H3,(H,25,28)(H,26,30)