2-[(2,4-dimethylphenyl)methyl]-6-methyl-5-(2-methylsulfanylethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[(2,4-dimethylphenyl)methyl]-6-methyl-5-(2-methylsulfanylethyl)-1H-pyrimidin-4-one Openeye Name: 2-[(2,4-dimethylphenyl)methyl]-6-methyl-5-(2-methylsulfanylethyl)-1H-pyrimidin-4-one CAS Name: 2-[(2,4-dimethylphenyl)methyl]-6-methyl-5-[2-(methylthio)ethyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(2,4-dimethylphenyl)methyl]-6-methyl-5-(2-methylsulfanylethyl)-1H-pyrimidin-4-one Traditional Name: 2-(2,4-dimethylbenzyl)-6-methyl-5-[2-(methylthio)ethyl]-1H-pyrimidin-4-one Formula: C17H22N2OS MolecularWeight: 302.43438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CC2=NC(=O)C(=C(N2)C)CCSC)C

Isomeric SMILES

CC1=CC(=C(C=C1)CC2=NC(=O)C(=C(N2)C)CCSC)C

InChI

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