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

Systemtic Name: 5-[(2-methoxy-5-methyl-phenyl)methyl]-6-methyl-2-(2-methylpropylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-isobutylsulfanyl-5-[(2-methoxy-5-methyl-phenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[(2-methoxy-5-methylphenyl)methyl]-6-methyl-2-(2-methylpropylthio)-1H-pyrimidin-4-one IUPAC Name: 5-[(2-methoxy-5-methylphenyl)methyl]-6-methyl-2-(2-methylpropylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 2-(isobutylthio)-5-(2-methoxy-5-methyl-benzyl)-6-methyl-1H-pyrimidin-4-one Formula: C18H24N2O2S MolecularWeight: 332.46036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O2S/c1-11(2)10-23-18-19-13(4)15(17(21)20-18)9-14-8-12(3)6-7-16(14)22-5/h6-8,11H,9-10H2,1-5H3,(H,19,20,21)