2-[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]-N-phenethyl-ethanamide Openeye Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]-N-phenethyl-acetamide CAS Name: 2-[2-[(3-chlorophenyl)methylthio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]-N-phenethylacetamide IUPAC Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]-N-phenethylacetamide Traditional Name: 2-[2-[(3-chlorobenzyl)thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]-N-phenethyl-acetamide Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC(=CC=C2)Cl)CC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC(=CC=C2)Cl)CC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H22ClN3O2S/c1-15-19(13-20(27)24-11-10-16-6-3-2-4-7-16)21(28)26-22(25-15)29-14-17-8-5-9-18(23)12-17/h2-9,12H,10-11,13-14H2,1H3,(H,24,27)(H,25,26,28)