6-butan-2-yl-1-phenyl-4-[4-(phenylsulfonyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine

Systemtic Name: 6-butan-2-yl-1-phenyl-4-[4-(phenylsulfonyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-1-phenyl-6-sec-butyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-6-butan-2-yl-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-6-butan-2-yl-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-(4-besylpiperazino)-1-phenyl-6-sec-butyl-pyrazolo[3,4-d]pyrimidine Formula: C25H28N6O2S MolecularWeight: 476.59382

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CCC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H28N6O2S/c1-3-19(2)23-27-24(22-18-26-31(25(22)28-23)20-10-6-4-7-11-20)29-14-16-30(17-15-29)34(32,33)21-12-8-5-9-13-21/h4-13,18-19H,3,14-17H2,1-2H3