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

Systemtic Name: 6-[(3-methylphenyl)methyl]-2-(2-methylpropylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-isobutylsulfanyl-6-(m-tolylmethyl)-1H-pyrimidin-4-one CAS Name: 6-[(3-methylphenyl)methyl]-2-(2-methylpropylthio)-1H-pyrimidin-4-one IUPAC Name: 6-[(3-methylphenyl)methyl]-2-(2-methylpropylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 2-(isobutylthio)-6-(3-methylbenzyl)-1H-pyrimidin-4-one Formula: C16H20N2OS MolecularWeight: 288.4078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2=CC(=O)N=C(N2)SCC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)CC2=CC(=O)N=C(N2)SCC(C)C

InChI

InChI=1S/C16H20N2OS/c1-11(2)10-20-16-17-14(9-15(19)18-16)8-13-6-4-5-12(3)7-13/h4-7,9,11H,8,10H2,1-3H3,(H,17,18,19)