2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3,6-dimethyl-5-[(3-methylphenyl)methyl]pyrimidin-4-one

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3,6-dimethyl-5-[(3-methylphenyl)methyl]pyrimidin-4-one Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3,6-dimethyl-5-(m-tolylmethyl)pyrimidin-4-one CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-3,6-dimethyl-5-[(3-methylphenyl)methyl]-4-pyrimidinone IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3,6-dimethyl-5-[(3-methylphenyl)methyl]pyrimidin-4-one Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-3,6-dimethyl-5-(3-methylbenzyl)pyrimidin-4-one Formula: C21H20ClFN2OS MolecularWeight: 402.912703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2=C(N=C(N(C2=O)C)SCC3=C(C=CC=C3Cl)F)C

Isomeric SMILES

CC1=CC(=CC=C1)CC2=C(N=C(N(C2=O)C)SCC3=C(C=CC=C3Cl)F)C

InChI

InChI=1S/C21H20ClFN2OS/c1-13-6-4-7-15(10-13)11-16-14(2)24-21(25(3)20(16)26)27-12-17-18(22)8-5-9-19(17)23/h4-10H,11-12H2,1-3H3