3-[2-(2,5-dimethylphenyl)sulfonylethyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(2,5-dimethylphenyl)sulfonylethyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(2,5-dimethylphenyl)sulfonylethyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(2,5-dimethylphenyl)sulfonylethyl]-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(2,5-dimethylphenyl)sulfonylethyl]-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(2,5-dimethylphenyl)sulfonylethyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H20N2O3S2 MolecularWeight: 424.5358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)CCN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)CCN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4

InChI

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