3-[2-(3,4-dimethoxyphenyl)ethyl]-6-phenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-phenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-phenyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-phenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-phenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-homoveratryl-6-phenyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one Formula: C22H20N2O3S2 MolecularWeight: 424.5358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)C3=C(NC2=S)SC(=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)C3=C(NC2=S)SC(=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C22H20N2O3S2/c1-26-17-9-8-14(12-18(17)27-2)10-11-24-21(25)16-13-19(15-6-4-3-5-7-15)29-20(16)23-22(24)28/h3-9,12-13H,10-11H2,1-2H3,(H,23,28)