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

Systemtic Name: 1-phenyl-6-(phenylmethyl)-4-[4-(phenylmethyl)sulfonylpiperazin-1-yl]pyrazolo[3,4-d]pyrimidine Openeye Name: 6-benzyl-4-(4-benzylsulfonylpiperazin-1-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 1-phenyl-6-(phenylmethyl)-4-[4-(phenylmethyl)sulfonyl-1-piperazinyl]pyrazolo[3,4-d]pyrimidine IUPAC Name: 6-benzyl-4-(4-benzylsulfonylpiperazin-1-yl)-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 6-benzyl-4-(4-benzylsulfonylpiperazino)-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C29H28N6O2S MolecularWeight: 524.63662

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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)CC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)CC5=CC=CC=C5)S(=O)(=O)CC6=CC=CC=C6

InChI

InChI=1S/C29H28N6O2S/c36-38(37,22-24-12-6-2-7-13-24)34-18-16-33(17-19-34)28-26-21-30-35(25-14-8-3-9-15-25)29(26)32-27(31-28)20-23-10-4-1-5-11-23/h1-15,21H,16-20,22H2