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

Systemtic Name: 5-[(2-methoxy-5-methyl-phenyl)methyl]-6-methyl-2-prop-2-enylsulfanyl-1H-pyrimidin-4-one Openeye Name: 2-allylsulfanyl-5-[(2-methoxy-5-methyl-phenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[(2-methoxy-5-methylphenyl)methyl]-6-methyl-2-(prop-2-enylthio)-1H-pyrimidin-4-one IUPAC Name: 5-[(2-methoxy-5-methylphenyl)methyl]-6-methyl-2-prop-2-enylsulfanyl-1H-pyrimidin-4-one Traditional Name: 2-(allylthio)-5-(2-methoxy-5-methyl-benzyl)-6-methyl-1H-pyrimidin-4-one Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O2S/c1-5-8-22-17-18-12(3)14(16(20)19-17)10-13-9-11(2)6-7-15(13)21-4/h5-7,9H,1,8,10H2,2-4H3,(H,18,19,20)