5-[(2,5-dimethylphenyl)methyl]-6-methyl-2-(phenylmethylsulfanyl)-1,3-diazinan-4-one

Systemtic Name: 5-[(2,5-dimethylphenyl)methyl]-6-methyl-2-(phenylmethylsulfanyl)-1,3-diazinan-4-one Openeye Name: 2-benzylsulfanyl-5-[(2,5-dimethylphenyl)methyl]-6-methyl-hexahydropyrimidin-4-one CAS Name: 5-[(2,5-dimethylphenyl)methyl]-6-methyl-2-(phenylmethylthio)-1,3-diazinan-4-one IUPAC Name: 2-benzylsulfanyl-5-[(2,5-dimethylphenyl)methyl]-6-methyl-1,3-diazinan-4-one Traditional Name: 2-(benzylthio)-5-(2,5-dimethylbenzyl)-6-methyl-hexahydropyrimidin-4-one Formula: C21H26N2OS MolecularWeight: 354.50894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)NC(N1)SCC2=CC=CC=C2)CC3=C(C=CC(=C3)C)C

Isomeric SMILES

CC1C(C(=O)NC(N1)SCC2=CC=CC=C2)CC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C21H26N2OS/c1-14-9-10-15(2)18(11-14)12-19-16(3)22-21(23-20(19)24)25-13-17-7-5-4-6-8-17/h4-11,16,19,21-22H,12-13H2,1-3H3,(H,23,24)