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

Systemtic Name: 2-[(2,4-dimethylphenyl)methyl]-6-methyl-5-[2-(3-methylbutylsulfanyl)ethyl]-1H-pyrimidin-4-one Openeye Name: 2-[(2,4-dimethylphenyl)methyl]-5-(2-isopentylsulfanylethyl)-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(2,4-dimethylphenyl)methyl]-6-methyl-5-[2-(3-methylbutylthio)ethyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(2,4-dimethylphenyl)methyl]-6-methyl-5-[2-(3-methylbutylsulfanyl)ethyl]-1H-pyrimidin-4-one Traditional Name: 2-(2,4-dimethylbenzyl)-5-[2-(isoamylthio)ethyl]-6-methyl-1H-pyrimidin-4-one Formula: C21H30N2OS MolecularWeight: 358.5407

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2OS/c1-14(2)8-10-25-11-9-19-17(5)22-20(23-21(19)24)13-18-7-6-15(3)12-16(18)4/h6-7,12,14H,8-11,13H2,1-5H3,(H,22,23,24)