N-[4-[4-azanyl-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluoranyl-phenyl]-2-bromanyl-benzenesulfonamide

Systemtic Name: N-[4-[4-azanyl-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluoranyl-phenyl]-2-bromanyl-benzenesulfonamide Openeye Name: N-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluoro-phenyl]-2-bromo-benzenesulfonamide CAS Name: N-[4-[4-amino-1-[4-(4-methyl-1-piperazinyl)cyclohexyl]-3-pyrazolo[3,4-d]pyrimidinyl]-2-fluorophenyl]-2-bromobenzenesulfonamide IUPAC Name: N-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenyl]-2-bromobenzenesulfonamide Traditional Name: N-[4-[4-amino-1-[4-(4-methylpiperazino)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluoro-phenyl]-2-bromo-benzenesulfonamide Formula: C28H32BrFN8O2S MolecularWeight: 643.573483

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCC(CC2)N3C4=C(C(=N3)C5=CC(=C(C=C5)NS(=O)(=O)C6=CC=CC=C6Br)F)C(=NC=N4)N

Isomeric SMILES

CN1CCN(CC1)C2CCC(CC2)N3C4=C(C(=N3)C5=CC(=C(C=C5)NS(=O)(=O)C6=CC=CC=C6Br)F)C(=NC=N4)N

InChI

InChI=1S/C28H32BrFN8O2S/c1-36-12-14-37(15-13-36)19-7-9-20(10-8-19)38-28-25(27(31)32-17-33-28)26(34-38)18-6-11-23(22(30)16-18)35-41(39,40)24-5-3-2-4-21(24)29/h2-6,11,16-17,19-20,35H,7-10,12-15H2,1H3,(H2,31,32,33)