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

Systemtic Name: 1-phenyl-6-(phenylmethyl)-4-[4-(phenylsulfonyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-6-benzyl-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-1-phenyl-6-(phenylmethyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-6-benzyl-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 6-benzyl-4-(4-besylpiperazino)-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C28H26N6O2S MolecularWeight: 510.61004

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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=CC=C6

Isomeric SMILES

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

InChI

InChI=1S/C28H26N6O2S/c35-37(36,24-14-8-3-9-15-24)33-18-16-32(17-19-33)27-25-21-29-34(23-12-6-2-7-13-23)28(25)31-26(30-27)20-22-10-4-1-5-11-22/h1-15,21H,16-20H2