2-[(2,5-dimethylphenyl)methylsulfanyl]-3,6-dimethyl-5-(phenylmethyl)pyrimidin-4-one

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3,6-dimethyl-5-(phenylmethyl)pyrimidin-4-one Openeye Name: 5-benzyl-2-[(2,5-dimethylphenyl)methylsulfanyl]-3,6-dimethyl-pyrimidin-4-one CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-3,6-dimethyl-5-(phenylmethyl)-4-pyrimidinone IUPAC Name: 5-benzyl-2-[(2,5-dimethylphenyl)methylsulfanyl]-3,6-dimethylpyrimidin-4-one Traditional Name: 5-benzyl-2-[(2,5-dimethylbenzyl)thio]-3,6-dimethyl-pyrimidin-4-one Formula: C22H24N2OS MolecularWeight: 364.50376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC(=C(C(=O)N2C)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC(=C(C(=O)N2C)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H24N2OS/c1-15-10-11-16(2)19(12-15)14-26-22-23-17(3)20(21(25)24(22)4)13-18-8-6-5-7-9-18/h5-12H,13-14H2,1-4H3