6-tert-butyl-2-[(3-chlorophenyl)methylsulfanyl]-3-methyl-pyrimidin-4-one

Systemtic Name: 6-tert-butyl-2-[(3-chlorophenyl)methylsulfanyl]-3-methyl-pyrimidin-4-one Openeye Name: 6-tert-butyl-2-[(3-chlorophenyl)methylsulfanyl]-3-methyl-pyrimidin-4-one CAS Name: 6-tert-butyl-2-[(3-chlorophenyl)methylthio]-3-methyl-4-pyrimidinone IUPAC Name: 6-tert-butyl-2-[(3-chlorophenyl)methylsulfanyl]-3-methylpyrimidin-4-one Traditional Name: 6-tert-butyl-2-[(3-chlorobenzyl)thio]-3-methyl-pyrimidin-4-one Formula: C16H19ClN2OS MolecularWeight: 322.85286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=O)N(C(=N1)SCC2=CC(=CC=C2)Cl)C

Isomeric SMILES

CC(C)(C)C1=CC(=O)N(C(=N1)SCC2=CC(=CC=C2)Cl)C

InChI

InChI=1S/C16H19ClN2OS/c1-16(2,3)13-9-14(20)19(4)15(18-13)21-10-11-6-5-7-12(17)8-11/h5-9H,10H2,1-4H3