2-butan-2-ylsulfanyl-6-[(3-methylphenyl)methyl]-1H-pyrimidin-4-one

Systemtic Name: 2-butan-2-ylsulfanyl-6-[(3-methylphenyl)methyl]-1H-pyrimidin-4-one Openeye Name: 6-(m-tolylmethyl)-2-sec-butylsulfanyl-1H-pyrimidin-4-one CAS Name: 2-(butan-2-ylthio)-6-[(3-methylphenyl)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-butan-2-ylsulfanyl-6-[(3-methylphenyl)methyl]-1H-pyrimidin-4-one Traditional Name: 6-(3-methylbenzyl)-2-(sec-butylthio)-1H-pyrimidin-4-one Formula: C16H20N2OS MolecularWeight: 288.4078

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=O)C=C(N1)CC2=CC=CC(=C2)C

Isomeric SMILES

CCC(C)SC1=NC(=O)C=C(N1)CC2=CC=CC(=C2)C

InChI

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