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

Systemtic Name: 2-(3-methylbut-2-enylsulfanyl)-6-[(3-methylphenyl)methyl]-1H-pyrimidin-4-one Openeye Name: 2-(3-methylbut-2-enylsulfanyl)-6-(m-tolylmethyl)-1H-pyrimidin-4-one CAS Name: 2-(3-methylbut-2-enylthio)-6-[(3-methylphenyl)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-(3-methylbut-2-enylsulfanyl)-6-[(3-methylphenyl)methyl]-1H-pyrimidin-4-one Traditional Name: 6-(3-methylbenzyl)-2-(3-methylbut-2-enylthio)-1H-pyrimidin-4-one Formula: C17H20N2OS MolecularWeight: 300.4185

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2OS/c1-12(2)7-8-21-17-18-15(11-16(20)19-17)10-14-6-4-5-13(3)9-14/h4-7,9,11H,8,10H2,1-3H3,(H,18,19,20)