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

Systemtic Name: 6-[(3,4-dimethoxyphenyl)methyl]-5-methyl-2-prop-2-enylsulfanyl-1H-pyrimidin-4-one Openeye Name: 2-allylsulfanyl-6-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1H-pyrimidin-4-one CAS Name: 6-[(3,4-dimethoxyphenyl)methyl]-5-methyl-2-(prop-2-enylthio)-1H-pyrimidin-4-one IUPAC Name: 6-[(3,4-dimethoxyphenyl)methyl]-5-methyl-2-prop-2-enylsulfanyl-1H-pyrimidin-4-one Traditional Name: 2-(allylthio)-5-methyl-6-veratryl-1H-pyrimidin-4-one Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCC=C)CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=C(NC(=NC1=O)SCC=C)CC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C17H20N2O3S/c1-5-8-23-17-18-13(11(2)16(20)19-17)9-12-6-7-14(21-3)15(10-12)22-4/h5-7,10H,1,8-9H2,2-4H3,(H,18,19,20)