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

Systemtic Name: N-[4-[4-azanyl-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluoranyl-phenyl]-2,4-bis(chloranyl)benzenesulfonamide Openeye Name: N-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluoro-phenyl]-2,4-dichloro-benzenesulfonamide CAS Name: N-[4-[4-amino-1-[4-(4-methyl-1-piperazinyl)cyclohexyl]-3-pyrazolo[3,4-d]pyrimidinyl]-2-fluorophenyl]-2,4-dichlorobenzenesulfonamide IUPAC Name: N-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenyl]-2,4-dichlorobenzenesulfonamide Traditional Name: N-[4-[4-amino-1-[4-(4-methylpiperazino)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluoro-phenyl]-2,4-dichloro-benzenesulfonamide Formula: C28H31Cl2FN8O2S MolecularWeight: 633.567543

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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=C(C=C(C=C6)Cl)Cl)F)C(=NC=N4)N

Isomeric SMILES

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

InChI

InChI=1S/C28H31Cl2FN8O2S/c1-37-10-12-38(13-11-37)19-4-6-20(7-5-19)39-28-25(27(32)33-16-34-28)26(35-39)17-2-8-23(22(31)14-17)36-42(40,41)24-9-3-18(29)15-21(24)30/h2-3,8-9,14-16,19-20,36H,4-7,10-13H2,1H3,(H2,32,33,34)