4-[4-[2-(4-bromophenyl)sulfonylethyl]piperazin-1-yl]-1-methyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[4-[2-(4-bromophenyl)sulfonylethyl]piperazin-1-yl]-1-methyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-[2-(4-bromophenyl)sulfonylethyl]piperazin-1-yl]-1-methyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-[2-(4-bromophenyl)sulfonylethyl]-1-piperazinyl]-1-methylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-[2-(4-bromophenyl)sulfonylethyl]piperazin-1-yl]-1-methylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[4-(2-brosylethyl)piperazino]-1-methyl-pyrazolo[3,4-d]pyrimidine Formula: C18H21BrN6O2S MolecularWeight: 465.36734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrN6O2S/c1-23-17-16(12-22-23)18(21-13-20-17)25-8-6-24(7-9-25)10-11-28(26,27)15-4-2-14(19)3-5-15/h2-5,12-13H,6-11H2,1H3