N-[4-[4-azanyl-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluoranyl-phenyl]-2-iodanyl-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-iodanyl-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-iodo-benzenesulfonamide CAS Name: N-[4-[4-amino-7-[4-(4-methyl-1-piperazinyl)cyclohexyl]-5-pyrrolo[2,3-d]pyrimidinyl]-2-fluorophenyl]-2-iodobenzenesulfonamide IUPAC Name: N-[4-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluorophenyl]-2-iodobenzenesulfonamide Traditional Name: N-[4-[4-amino-7-[4-(4-methylpiperazino)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluoro-phenyl]-2-iodo-benzenesulfonamide Formula: C29H33FIN7O2S MolecularWeight: 689.585893

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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=CC=CC=C6I)F

Isomeric SMILES

CN1CCN(CC1)C2CCC(CC2)N3C=C(C4=C3N=CN=C4N)C5=CC(=C(C=C5)NS(=O)(=O)C6=CC=CC=C6I)F

InChI

InChI=1S/C29H33FIN7O2S/c1-36-12-14-37(15-13-36)20-7-9-21(10-8-20)38-17-22(27-28(32)33-18-34-29(27)38)19-6-11-25(23(30)16-19)35-41(39,40)26-5-3-2-4-24(26)31/h2-6,11,16-18,20-21,35H,7-10,12-15H2,1H3,(H2,32,33,34)