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

Systemtic Name: 2-[(2,4-dimethylphenyl)methyl]-5-(2-ethylsulfanylethyl)-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[(2,4-dimethylphenyl)methyl]-5-(2-ethylsulfanylethyl)-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(2,4-dimethylphenyl)methyl]-5-[2-(ethylthio)ethyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[(2,4-dimethylphenyl)methyl]-5-(2-ethylsulfanylethyl)-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-(2,4-dimethylbenzyl)-5-[2-(ethylthio)ethyl]-6-methyl-1H-pyrimidin-4-one Formula: C18H24N2OS MolecularWeight: 316.46096

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCC1=C(NC(=NC1=O)CC2=C(C=C(C=C2)C)C)C

Isomeric SMILES

CCSCCC1=C(NC(=NC1=O)CC2=C(C=C(C=C2)C)C)C

InChI

InChI=1S/C18H24N2OS/c1-5-22-9-8-16-14(4)19-17(20-18(16)21)11-15-7-6-12(2)10-13(15)3/h6-7,10H,5,8-9,11H2,1-4H3,(H,19,20,21)