5-methyl-2-[(3-methylphenyl)methylsulfanyl]-6-(phenylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 5-methyl-2-[(3-methylphenyl)methylsulfanyl]-6-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 6-benzyl-5-methyl-2-(m-tolylmethylsulfanyl)-1H-pyrimidin-4-one CAS Name: 5-methyl-2-[(3-methylphenyl)methylthio]-6-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 6-benzyl-5-methyl-2-[(3-methylphenyl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-benzyl-5-methyl-2-[(3-methylbenzyl)thio]-1H-pyrimidin-4-one Formula: C20H20N2OS MolecularWeight: 336.4506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC(=O)C(=C(N2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC(=O)C(=C(N2)CC3=CC=CC=C3)C

InChI

InChI=1S/C20H20N2OS/c1-14-7-6-10-17(11-14)13-24-20-21-18(15(2)19(23)22-20)12-16-8-4-3-5-9-16/h3-11H,12-13H2,1-2H3,(H,21,22,23)