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

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-thioxo-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 3-homoveratryl-2-thioxo-1H-thieno[3,2-d]pyrimidin-4-one Formula: C16H16N2O3S2 MolecularWeight: 348.43984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)C3=C(C=CS3)NC2=S)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)C3=C(C=CS3)NC2=S)OC

InChI

InChI=1S/C16H16N2O3S2/c1-20-12-4-3-10(9-13(12)21-2)5-7-18-15(19)14-11(6-8-23-14)17-16(18)22/h3-4,6,8-9H,5,7H2,1-2H3,(H,17,22)