5-ethyl-2-methylsulfanyl-6-[(3-prop-2-enoxyphenyl)methyl]-1H-pyrimidin-4-one

Systemtic Name: 5-ethyl-2-methylsulfanyl-6-[(3-prop-2-enoxyphenyl)methyl]-1H-pyrimidin-4-one Openeye Name: 6-[(3-allyloxyphenyl)methyl]-5-ethyl-2-methylsulfanyl-1H-pyrimidin-4-one CAS Name: 5-ethyl-2-(methylthio)-6-[(3-prop-2-enoxyphenyl)methyl]-1H-pyrimidin-4-one IUPAC Name: 5-ethyl-2-methylsulfanyl-6-[(3-prop-2-enoxyphenyl)methyl]-1H-pyrimidin-4-one Traditional Name: 6-(3-allyloxybenzyl)-5-ethyl-2-(methylthio)-1H-pyrimidin-4-one Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SC)CC2=CC(=CC=C2)OCC=C

Isomeric SMILES

CCC1=C(NC(=NC1=O)SC)CC2=CC(=CC=C2)OCC=C

InChI

InChI=1S/C17H20N2O2S/c1-4-9-21-13-8-6-7-12(10-13)11-15-14(5-2)16(20)19-17(18-15)22-3/h4,6-8,10H,1,5,9,11H2,2-3H3,(H,18,19,20)