2-[4-methyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[4-methyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-(2-benzylsulfanyl-4-methyl-6-oxo-pyrimidin-1-yl)-N-phenethyl-acetamide CAS Name: 2-[4-methyl-6-oxo-2-(phenylmethylthio)-1-pyrimidinyl]-N-phenethylacetamide IUPAC Name: 2-(2-benzylsulfanyl-4-methyl-6-oxopyrimidin-1-yl)-N-phenethylacetamide Traditional Name: 2-[2-(benzylthio)-6-keto-4-methyl-pyrimidin-1-yl]-N-phenethyl-acetamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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