6-tert-butyl-2-[(2-methylphenyl)methylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-tert-butyl-2-[(2-methylphenyl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-tert-butyl-2-(o-tolylmethylsulfanyl)-1H-pyrimidin-4-one CAS Name: 6-tert-butyl-2-[(2-methylphenyl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-tert-butyl-2-[(2-methylphenyl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-tert-butyl-2-[(2-methylbenzyl)thio]-1H-pyrimidin-4-one Formula: C16H20N2OS MolecularWeight: 288.4078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC(=O)C=C(N2)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC(=O)C=C(N2)C(C)(C)C

InChI

InChI=1S/C16H20N2OS/c1-11-7-5-6-8-12(11)10-20-15-17-13(16(2,3)4)9-14(19)18-15/h5-9H,10H2,1-4H3,(H,17,18,19)