2-(4-methyl-6-oxidanylidene-2-phenethylsulfanyl-pyrimidin-1-yl)-N-(phenylmethyl)ethanamide

Systemtic Name: 2-(4-methyl-6-oxidanylidene-2-phenethylsulfanyl-pyrimidin-1-yl)-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-(4-methyl-6-oxo-2-phenethylsulfanyl-pyrimidin-1-yl)acetamide CAS Name: 2-[4-methyl-6-oxo-2-(phenethylthio)-1-pyrimidinyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-(4-methyl-6-oxo-2-phenethylsulfanylpyrimidin-1-yl)acetamide Traditional Name: N-benzyl-2-[6-keto-4-methyl-2-(phenethylthio)pyrimidin-1-yl]acetamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SCCC2=CC=CC=C2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SCCC2=CC=CC=C2)CC(=O)NCC3=CC=CC=C3

InChI

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