1-[2-(3-methoxyphenyl)-4-methyl-6-(phenylmethylsulfanyl)pyrimidin-5-yl]ethanone

Systemtic Name: 1-[2-(3-methoxyphenyl)-4-methyl-6-(phenylmethylsulfanyl)pyrimidin-5-yl]ethanone Openeye Name: 1-[4-benzylsulfanyl-2-(3-methoxyphenyl)-6-methyl-pyrimidin-5-yl]ethanone CAS Name: 1-[2-(3-methoxyphenyl)-4-methyl-6-(phenylmethylthio)-5-pyrimidinyl]ethanone IUPAC Name: 1-[4-benzylsulfanyl-2-(3-methoxyphenyl)-6-methylpyrimidin-5-yl]ethanone Traditional Name: 1-[4-(benzylthio)-2-(3-methoxyphenyl)-6-methyl-pyrimidin-5-yl]ethanone Formula: C21H20N2O2S MolecularWeight: 364.4607

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC(=CC=C2)OC)SCC3=CC=CC=C3)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC(=CC=C2)OC)SCC3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C21H20N2O2S/c1-14-19(15(2)24)21(26-13-16-8-5-4-6-9-16)23-20(22-14)17-10-7-11-18(12-17)25-3/h4-12H,13H2,1-3H3