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

Systemtic Name: 1-[4-[4-azanyl-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluoranyl-phenyl]-3-(2-phenoxyphenyl)urea Openeye Name: 1-[4-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluoro-phenyl]-3-(2-phenoxyphenyl)urea CAS Name: 1-[4-[4-amino-7-[4-(4-methyl-1-piperazinyl)cyclohexyl]-5-pyrrolo[2,3-d]pyrimidinyl]-2-fluorophenyl]-3-(2-phenoxyphenyl)urea IUPAC Name: 1-[4-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluorophenyl]-3-(2-phenoxyphenyl)urea Traditional Name: 1-[4-[4-amino-7-[4-(4-methylpiperazino)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluoro-phenyl]-3-(2-phenoxyphenyl)urea Formula: C36H39FN8O2 MolecularWeight: 634.745663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCC(CC2)N3C=C(C4=C3N=CN=C4N)C5=CC(=C(C=C5)NC(=O)NC6=CC=CC=C6OC7=CC=CC=C7)F

Isomeric SMILES

CN1CCN(CC1)C2CCC(CC2)N3C=C(C4=C3N=CN=C4N)C5=CC(=C(C=C5)NC(=O)NC6=CC=CC=C6OC7=CC=CC=C7)F

InChI

InChI=1S/C36H39FN8O2/c1-43-17-19-44(20-18-43)25-12-14-26(15-13-25)45-22-28(33-34(38)39-23-40-35(33)45)24-11-16-30(29(37)21-24)41-36(46)42-31-9-5-6-10-32(31)47-27-7-3-2-4-8-27/h2-11,16,21-23,25-26H,12-15,17-20H2,1H3,(H2,38,39,40)(H2,41,42,46)