6-[(3,5-dimethylphenyl)methyl]-5-ethyl-2-prop-2-enylsulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-2-prop-2-enylsulfanyl-1H-pyrimidin-4-one Openeye Name: 2-allylsulfanyl-6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1H-pyrimidin-4-one CAS Name: 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-2-(prop-2-enylthio)-1H-pyrimidin-4-one IUPAC Name: 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-2-prop-2-enylsulfanyl-1H-pyrimidin-4-one Traditional Name: 2-(allylthio)-6-(3,5-dimethylbenzyl)-5-ethyl-1H-pyrimidin-4-one Formula: C18H22N2OS MolecularWeight: 314.44508

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SCC=C)CC2=CC(=CC(=C2)C)C

Isomeric SMILES

CCC1=C(NC(=NC1=O)SCC=C)CC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C18H22N2OS/c1-5-7-22-18-19-16(15(6-2)17(21)20-18)11-14-9-12(3)8-13(4)10-14/h5,8-10H,1,6-7,11H2,2-4H3,(H,19,20,21)