3-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-5-thiophen-2-yl-1H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-5-thiophen-2-yl-1H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2-thienyl)-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-5-thiophen-2-yl-1H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-5-thiophen-2-yl-1H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-homoveratryl-5-(2-thienyl)-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one Formula: C20H18N2O3S3 MolecularWeight: 430.56352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)C3=C(NC2=S)SC=C3C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)C3=C(NC2=S)SC=C3C4=CC=CS4)OC

InChI

InChI=1S/C20H18N2O3S3/c1-24-14-6-5-12(10-15(14)25-2)7-8-22-19(23)17-13(16-4-3-9-27-16)11-28-18(17)21-20(22)26/h3-6,9-11H,7-8H2,1-2H3,(H,21,26)