5-(3-fluoranyl-4-phenoxy-phenyl)-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: 5-(3-fluoranyl-4-phenoxy-phenyl)-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 5-(3-fluoro-4-phenoxy-phenyl)-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 5-(3-fluoro-4-phenoxyphenyl)-7-[4-(4-methyl-1-piperazinyl)cyclohexyl]-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 5-(3-fluoro-4-phenoxyphenyl)-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [5-(3-fluoro-4-phenoxy-phenyl)-7-[4-(4-methylpiperazino)cyclohexyl]pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C29H33FN6O MolecularWeight: 500.610323

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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)OC6=CC=CC=C6)F

Isomeric SMILES

CN1CCN(CC1)C2CCC(CC2)N3C=C(C4=C3N=CN=C4N)C5=CC(=C(C=C5)OC6=CC=CC=C6)F

InChI

InChI=1S/C29H33FN6O/c1-34-13-15-35(16-14-34)21-8-10-22(11-9-21)36-18-24(27-28(31)32-19-33-29(27)36)20-7-12-26(25(30)17-20)37-23-5-3-2-4-6-23/h2-7,12,17-19,21-22H,8-11,13-16H2,1H3,(H2,31,32,33)