4-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-5-phenyl-thieno[2,3-d]pyrimidine

Systemtic Name: 4-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-5-phenyl-thieno[2,3-d]pyrimidine Openeye Name: 4-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-5-phenyl-thieno[2,3-d]pyrimidine CAS Name: 4-[4-(3-bromophenyl)sulfonyl-1-piperazinyl]-5-phenylthieno[2,3-d]pyrimidine IUPAC Name: 4-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine Traditional Name: 4-[4-(3-bromophenyl)sulfonylpiperazino]-5-phenyl-thieno[2,3-d]pyrimidine Formula: C22H19BrN4O2S2 MolecularWeight: 515.44586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C(=CSC3=NC=N2)C4=CC=CC=C4)S(=O)(=O)C5=CC(=CC=C5)Br

Isomeric SMILES

C1CN(CCN1C2=C3C(=CSC3=NC=N2)C4=CC=CC=C4)S(=O)(=O)C5=CC(=CC=C5)Br

InChI

InChI=1S/C22H19BrN4O2S2/c23-17-7-4-8-18(13-17)31(28,29)27-11-9-26(10-12-27)21-20-19(16-5-2-1-3-6-16)14-30-22(20)25-15-24-21/h1-8,13-15H,9-12H2