2-methyl-5-phenyl-4-[4-(phenylsulfonyl)piperazin-1-yl]thieno[2,3-d]pyrimidine

Systemtic Name: 2-methyl-5-phenyl-4-[4-(phenylsulfonyl)piperazin-1-yl]thieno[2,3-d]pyrimidine Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-methyl-5-phenyl-thieno[2,3-d]pyrimidine CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-2-methyl-5-phenylthieno[2,3-d]pyrimidine IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-methyl-5-phenylthieno[2,3-d]pyrimidine Traditional Name: 4-(4-besylpiperazino)-2-methyl-5-phenyl-thieno[2,3-d]pyrimidine Formula: C23H22N4O2S2 MolecularWeight: 450.57638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C23H22N4O2S2/c1-17-24-22(21-20(16-30-23(21)25-17)18-8-4-2-5-9-18)26-12-14-27(15-13-26)31(28,29)19-10-6-3-7-11-19/h2-11,16H,12-15H2,1H3