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

Systemtic Name: 5-[(2-methoxy-5-methyl-phenyl)methyl]-6-methyl-2-(3-methylbutylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-isopentylsulfanyl-5-[(2-methoxy-5-methyl-phenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[(2-methoxy-5-methylphenyl)methyl]-6-methyl-2-(3-methylbutylthio)-1H-pyrimidin-4-one IUPAC Name: 5-[(2-methoxy-5-methylphenyl)methyl]-6-methyl-2-(3-methylbutylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 2-(isoamylthio)-5-(2-methoxy-5-methyl-benzyl)-6-methyl-1H-pyrimidin-4-one Formula: C19H26N2O2S MolecularWeight: 346.48694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O2S/c1-12(2)8-9-24-19-20-14(4)16(18(22)21-19)11-15-10-13(3)6-7-17(15)23-5/h6-7,10,12H,8-9,11H2,1-5H3,(H,20,21,22)