1-methyl-4-[4-(phenylsulfonyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-methyl-4-[4-(phenylsulfonyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-1-methyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-1-methylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-1-methylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-(4-besylpiperazino)-1-methyl-pyrazolo[3,4-d]pyrimidine Formula: C16H18N6O2S MolecularWeight: 358.41812

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C16H18N6O2S/c1-20-15-14(11-19-20)16(18-12-17-15)21-7-9-22(10-8-21)25(23,24)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3