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

Systemtic Name: 5-[(3,4-dimethoxyphenyl)methyl]-6-oxidanyl-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 5-[(3,4-dimethoxyphenyl)methyl]-6-hydroxy-2-thioxo-1H-pyrimidin-4-one CAS Name: 5-[(3,4-dimethoxyphenyl)methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 5-[(3,4-dimethoxyphenyl)methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 6-hydroxy-2-thioxo-5-veratryl-1H-pyrimidin-4-one Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O4S/c1-18-9-4-3-7(6-10(9)19-2)5-8-11(16)14-13(20)15-12(8)17/h3-4,6H,5H2,1-2H3,(H3,14,15,16,17,20)