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

Systemtic Name: 5-[(3,4-dimethoxyphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 5-[(3,4-dimethoxyphenyl)methyl]-2-thioxo-1H-pyrimidin-4-one CAS Name: 5-[(3,4-dimethoxyphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 5-[(3,4-dimethoxyphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 2-thioxo-5-veratryl-1H-pyrimidin-4-one Formula: C13H14N2O3S MolecularWeight: 278.32686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=CNC(=S)NC2=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=CNC(=S)NC2=O)OC

InChI

InChI=1S/C13H14N2O3S/c1-17-10-4-3-8(6-11(10)18-2)5-9-7-14-13(19)15-12(9)16/h3-4,6-7H,5H2,1-2H3,(H2,14,15,16,19)