2-[2-[(3-methylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[2-[(3-methylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-phenethyl-ethanamide Openeye Name: 2-[2-(m-tolylmethylsulfanyl)-4-oxo-1H-pyrimidin-6-yl]-N-phenethyl-acetamide CAS Name: 2-[2-[(3-methylphenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-N-phenethylacetamide IUPAC Name: 2-[2-[(3-methylphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-phenethylacetamide Traditional Name: 2-[4-keto-2-[(3-methylbenzyl)thio]-1H-pyrimidin-6-yl]-N-phenethyl-acetamide Formula: C22H23N3O2S MolecularWeight: 393.50192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC(=O)C=C(N2)CC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC(=O)C=C(N2)CC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O2S/c1-16-6-5-9-18(12-16)15-28-22-24-19(14-21(27)25-22)13-20(26)23-11-10-17-7-3-2-4-8-17/h2-9,12,14H,10-11,13,15H2,1H3,(H,23,26)(H,24,25,27)