2-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-besylpiperazino)methyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H20N4O3S3 MolecularWeight: 472.6035

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C21H20N4O3S3/c26-20-19-16(17-7-4-12-29-17)14-30-21(19)23-18(22-20)13-24-8-10-25(11-9-24)31(27,28)15-5-2-1-3-6-15/h1-7,12,14H,8-11,13H2,(H,22,23,26)