5,6-dimethyl-4-[4-(phenylsulfonyl)piperazin-1-yl]-2-pyridin-3-yl-thieno[2,3-d]pyrimidine

Systemtic Name: 5,6-dimethyl-4-[4-(phenylsulfonyl)piperazin-1-yl]-2-pyridin-3-yl-thieno[2,3-d]pyrimidine Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-5,6-dimethyl-2-(3-pyridyl)thieno[2,3-d]pyrimidine CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-5,6-dimethyl-2-(3-pyridinyl)thieno[2,3-d]pyrimidine IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine Traditional Name: 4-(4-besylpiperazino)-5,6-dimethyl-2-(3-pyridyl)thieno[2,3-d]pyrimidine Formula: C23H23N5O2S2 MolecularWeight: 465.59102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C5=CN=CC=C5)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C5=CN=CC=C5)C

InChI

InChI=1S/C23H23N5O2S2/c1-16-17(2)31-23-20(16)22(25-21(26-23)18-7-6-10-24-15-18)27-11-13-28(14-12-27)32(29,30)19-8-4-3-5-9-19/h3-10,15H,11-14H2,1-2H3