1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone CAS Name: 1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-2-(4-thieno[2,3-d]pyrimidinylthio)ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-(thieno[2,3-d]pyrimidin-4-ylthio)ethanone Formula: C19H20N4O3S3 MolecularWeight: 448.5821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC=NC3=C2C=CS3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC=NC3=C2C=CS3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C19H20N4O3S3/c24-17(12-28-19-16-6-11-27-18(16)20-14-21-19)22-7-9-23(10-8-22)29(25,26)13-15-4-2-1-3-5-15/h1-6,11,14H,7-10,12-13H2