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

Systemtic Name: 4-chloranyl-5-(3-fluoranyl-4-phenoxy-phenyl)-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidine Openeye Name: 4-chloro-5-(3-fluoro-4-phenoxy-phenyl)-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidine CAS Name: 4-chloro-5-(3-fluoro-4-phenoxyphenyl)-7-[4-(4-methyl-1-piperazinyl)cyclohexyl]pyrrolo[2,3-d]pyrimidine IUPAC Name: 4-chloro-5-(3-fluoro-4-phenoxyphenyl)-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidine Traditional Name: 4-chloro-5-(3-fluoro-4-phenoxy-phenyl)-7-[4-(4-methylpiperazino)cyclohexyl]pyrrolo[2,3-d]pyrimidine Formula: C29H31ClFN5O MolecularWeight: 520.040743

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCC(CC2)N3C=C(C4=C3N=CN=C4Cl)C5=CC(=C(C=C5)OC6=CC=CC=C6)F

Isomeric SMILES

CN1CCN(CC1)C2CCC(CC2)N3C=C(C4=C3N=CN=C4Cl)C5=CC(=C(C=C5)OC6=CC=CC=C6)F

InChI

InChI=1S/C29H31ClFN5O/c1-34-13-15-35(16-14-34)21-8-10-22(11-9-21)36-18-24(27-28(30)32-19-33-29(27)36)20-7-12-26(25(31)17-20)37-23-5-3-2-4-6-23/h2-7,12,17-19,21-22H,8-11,13-16H2,1H3