3,6-dimethyl-5-[(4-methylphenyl)methyl]-2-prop-2-enylsulfanyl-pyrimidin-4-one

Systemtic Name: 3,6-dimethyl-5-[(4-methylphenyl)methyl]-2-prop-2-enylsulfanyl-pyrimidin-4-one Openeye Name: 2-allylsulfanyl-3,6-dimethyl-5-(p-tolylmethyl)pyrimidin-4-one CAS Name: 3,6-dimethyl-5-[(4-methylphenyl)methyl]-2-(prop-2-enylthio)-4-pyrimidinone IUPAC Name: 3,6-dimethyl-5-[(4-methylphenyl)methyl]-2-prop-2-enylsulfanylpyrimidin-4-one Traditional Name: 2-(allylthio)-3,6-dimethyl-5-(4-methylbenzyl)pyrimidin-4-one Formula: C17H20N2OS MolecularWeight: 300.4185

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C(N=C(N(C2=O)C)SCC=C)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(N=C(N(C2=O)C)SCC=C)C

InChI

InChI=1S/C17H20N2OS/c1-5-10-21-17-18-13(3)15(16(20)19(17)4)11-14-8-6-12(2)7-9-14/h5-9H,1,10-11H2,2-4H3