5-[(3,4-dimethylphenyl)methyl]-6-methyl-2-(3-methylbutylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 5-[(3,4-dimethylphenyl)methyl]-6-methyl-2-(3-methylbutylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 5-[(3,4-dimethylphenyl)methyl]-2-isopentylsulfanyl-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[(3,4-dimethylphenyl)methyl]-6-methyl-2-(3-methylbutylthio)-1H-pyrimidin-4-one IUPAC Name: 5-[(3,4-dimethylphenyl)methyl]-6-methyl-2-(3-methylbutylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 5-(3,4-dimethylbenzyl)-2-(isoamylthio)-6-methyl-1H-pyrimidin-4-one Formula: C19H26N2OS MolecularWeight: 330.48754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC2=C(NC(=NC2=O)SCCC(C)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)CC2=C(NC(=NC2=O)SCCC(C)C)C)C

InChI

InChI=1S/C19H26N2OS/c1-12(2)8-9-23-19-20-15(5)17(18(22)21-19)11-16-7-6-13(3)14(4)10-16/h6-7,10,12H,8-9,11H2,1-5H3,(H,20,21,22)