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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(NC(=NC1=O)SCC2=C(C=CC(=C2)C)C)C

Isomeric SMILES

CCCCCC1=C(NC(=NC1=O)SCC2=C(C=CC(=C2)C)C)C

InChI

InChI=1S/C19H26N2OS/c1-5-6-7-8-17-15(4)20-19(21-18(17)22)23-12-16-11-13(2)9-10-14(16)3/h9-11H,5-8,12H2,1-4H3,(H,20,21,22)