2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-one Openeye Name: 2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-one CAS Name: 2-[(3,4,5-trimethoxyphenyl)methylthio]-1H-pyrimidin-6-one IUPAC Name: 2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 2-[(3,4,5-trimethoxybenzyl)thio]-1H-pyrimidin-6-one Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CSC2=NC=CC(=O)N2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CSC2=NC=CC(=O)N2

InChI

InChI=1S/C14H16N2O4S/c1-18-10-6-9(7-11(19-2)13(10)20-3)8-21-14-15-5-4-12(17)16-14/h4-7H,8H2,1-3H3,(H,15,16,17)