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

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-5-isopentyl-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-5-isoamyl-6-methyl-1H-pyrimidin-4-one Formula: C19H26N2OS MolecularWeight: 330.48754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC(=O)C(=C(N2)C)CCC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC(=O)C(=C(N2)C)CCC(C)C

InChI

InChI=1S/C19H26N2OS/c1-12(2)6-9-17-15(5)20-19(21-18(17)22)23-11-16-10-13(3)7-8-14(16)4/h7-8,10,12H,6,9,11H2,1-5H3,(H,20,21,22)