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

Systemtic Name: 1-phenyl-4-[4-(phenylsulfonyl)piperazin-1-yl]-6-propyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-(4-besylpiperazino)-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine Formula: C24H26N6O2S MolecularWeight: 462.56724

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C24H26N6O2S/c1-2-9-22-26-23(21-18-25-30(24(21)27-22)19-10-5-3-6-11-19)28-14-16-29(17-15-28)33(31,32)20-12-7-4-8-13-20/h3-8,10-13,18H,2,9,14-17H2,1H3