N-[4-[4-azanyl-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluoranyl-phenyl]-2,3,4-tris(fluoranyl)benzenesulfonamide

Systemtic Name: N-[4-[4-azanyl-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluoranyl-phenyl]-2,3,4-tris(fluoranyl)benzenesulfonamide Openeye Name: N-[4-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluoro-phenyl]-2,3,4-trifluoro-benzenesulfonamide CAS Name: N-[4-[4-amino-7-[4-(4-methyl-1-piperazinyl)cyclohexyl]-5-pyrrolo[2,3-d]pyrimidinyl]-2-fluorophenyl]-2,3,4-trifluorobenzenesulfonamide IUPAC Name: N-[4-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluorophenyl]-2,3,4-trifluorobenzenesulfonamide Traditional Name: N-[4-[4-amino-7-[4-(4-methylpiperazino)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluoro-phenyl]-2,3,4-trifluoro-benzenesulfonamide Formula: C29H31F4N7O2S MolecularWeight: 617.660753

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCC(CC2)N3C=C(C4=C3N=CN=C4N)C5=CC(=C(C=C5)NS(=O)(=O)C6=C(C(=C(C=C6)F)F)F)F

Isomeric SMILES

CN1CCN(CC1)C2CCC(CC2)N3C=C(C4=C3N=CN=C4N)C5=CC(=C(C=C5)NS(=O)(=O)C6=C(C(=C(C=C6)F)F)F)F

InChI

InChI=1S/C29H31F4N7O2S/c1-38-10-12-39(13-11-38)18-3-5-19(6-4-18)40-15-20(25-28(34)35-16-36-29(25)40)17-2-8-23(22(31)14-17)37-43(41,42)24-9-7-21(30)26(32)27(24)33/h2,7-9,14-16,18-19,37H,3-6,10-13H2,1H3,(H2,34,35,36)