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

Systemtic Name: 5-methyl-6-[(3-methylphenyl)methyl]-2-(2-methylpropylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-isobutylsulfanyl-5-methyl-6-(m-tolylmethyl)-1H-pyrimidin-4-one CAS Name: 5-methyl-6-[(3-methylphenyl)methyl]-2-(2-methylpropylthio)-1H-pyrimidin-4-one IUPAC Name: 5-methyl-6-[(3-methylphenyl)methyl]-2-(2-methylpropylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 2-(isobutylthio)-5-methyl-6-(3-methylbenzyl)-1H-pyrimidin-4-one Formula: C17H22N2OS MolecularWeight: 302.43438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2OS/c1-11(2)10-21-17-18-15(13(4)16(20)19-17)9-14-7-5-6-12(3)8-14/h5-8,11H,9-10H2,1-4H3,(H,18,19,20)