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

Systemtic Name: 6-phenyl-2-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-besylpiperazino)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C23H22N4O3S2 MolecularWeight: 466.57578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C23H22N4O3S2/c28-22-19-15-20(17-7-3-1-4-8-17)31-23(19)25-21(24-22)16-26-11-13-27(14-12-26)32(29,30)18-9-5-2-6-10-18/h1-10,15H,11-14,16H2,(H,24,25,28)