4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-1-phenyl-6-(phenylmethyl)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-1-phenyl-6-(phenylmethyl)pyrazolo[3,4-d]pyrimidine Openeye Name: 6-benzyl-4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-1-phenyl-6-(phenylmethyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 6-benzyl-4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 6-benzyl-4-(4-brosylpiperazino)-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C28H25BrN6O2S MolecularWeight: 589.5061

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)CC5=CC=CC=C5)S(=O)(=O)C6=CC=C(C=C6)Br

Isomeric SMILES

C1CN(CCN1C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)CC5=CC=CC=C5)S(=O)(=O)C6=CC=C(C=C6)Br

InChI

InChI=1S/C28H25BrN6O2S/c29-22-11-13-24(14-12-22)38(36,37)34-17-15-33(16-18-34)27-25-20-30-35(23-9-5-2-6-10-23)28(25)32-26(31-27)19-21-7-3-1-4-8-21/h1-14,20H,15-19H2