N-[4-[4-azanyl-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-methoxy-phenyl]-2,6-bis(fluoranyl)benzamide

Systemtic Name: N-[4-[4-azanyl-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-methoxy-phenyl]-2,6-bis(fluoranyl)benzamide Openeye Name: N-[4-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-methoxy-phenyl]-2,6-difluoro-benzamide CAS Name: N-[4-[4-amino-7-[4-(4-methyl-1-piperazinyl)cyclohexyl]-5-pyrrolo[2,3-d]pyrimidinyl]-2-methoxyphenyl]-2,6-difluorobenzamide IUPAC Name: N-[4-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-methoxyphenyl]-2,6-difluorobenzamide Traditional Name: N-[4-[4-amino-7-[4-(4-methylpiperazino)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-methoxy-phenyl]-2,6-difluoro-benzamide Formula: C31H35F2N7O2 MolecularWeight: 575.652106

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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)NC(=O)C6=C(C=CC=C6F)F)OC

Isomeric SMILES

CN1CCN(CC1)C2CCC(CC2)N3C=C(C4=C3N=CN=C4N)C5=CC(=C(C=C5)NC(=O)C6=C(C=CC=C6F)F)OC

InChI

InChI=1S/C31H35F2N7O2/c1-38-12-14-39(15-13-38)20-7-9-21(10-8-20)40-17-22(27-29(34)35-18-36-30(27)40)19-6-11-25(26(16-19)42-2)37-31(41)28-23(32)4-3-5-24(28)33/h3-6,11,16-18,20-21H,7-10,12-15H2,1-2H3,(H,37,41)(H2,34,35,36)