3-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenacylsulfanyl-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenacylsulfanyl-thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenacylsulfanyl-thieno[3,2-d]pyrimidin-4-one CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(phenacylthio)-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenacylsulfanylthieno[3,2-d]pyrimidin-4-one Traditional Name: 3-homoveratryl-2-(phenacylthio)thieno[3,2-d]pyrimidin-4-one Formula: C24H22N2O4S2 MolecularWeight: 466.57248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)C3=C(C=CS3)N=C2SCC(=O)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)C3=C(C=CS3)N=C2SCC(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C24H22N2O4S2/c1-29-20-9-8-16(14-21(20)30-2)10-12-26-23(28)22-18(11-13-31-22)25-24(26)32-15-19(27)17-6-4-3-5-7-17/h3-9,11,13-14H,10,12,15H2,1-2H3