5-(2-hydroxyethyl)-6-(4-methylphenyl)-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 5-(2-hydroxyethyl)-6-(4-methylphenyl)-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-5-(2-hydroxyethyl)-6-(p-tolyl)-1H-pyrimidin-4-one CAS Name: 5-(2-hydroxyethyl)-6-(4-methylphenyl)-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-5-(2-hydroxyethyl)-6-(4-methylphenyl)-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-5-(2-hydroxyethyl)-6-(p-tolyl)-1H-pyrimidin-4-one Formula: C20H20N2O2S MolecularWeight: 352.45

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC3=CC=CC=C3)CCO

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC3=CC=CC=C3)CCO

InChI

InChI=1S/C20H20N2O2S/c1-14-7-9-16(10-8-14)18-17(11-12-23)19(24)22-20(21-18)25-13-15-5-3-2-4-6-15/h2-10,23H,11-13H2,1H3,(H,21,22,24)