2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-piperidin-1-ylsulfonylphenyl)ethanone

Systemtic Name: 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-piperidin-1-ylsulfonylphenyl)ethanone Openeye Name: 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-[4-(1-piperidylsulfonyl)phenyl]ethanone CAS Name: 2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]-1-[4-(1-piperidinylsulfonyl)phenyl]ethanone IUPAC Name: 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-piperidin-1-ylsulfonylphenyl)ethanone Traditional Name: 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]-1-(4-piperidinosulfonylphenyl)ethanone Formula: C21H23N3O3S3 MolecularWeight: 461.62062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SCC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SCC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C

InChI

InChI=1S/C21H23N3O3S3/c1-14-15(2)29-21-19(14)20(22-13-23-21)28-12-18(25)16-6-8-17(9-7-16)30(26,27)24-10-4-3-5-11-24/h6-9,13H,3-5,10-12H2,1-2H3