1-[4-[4-azanyl-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluoranyl-phenyl]-3-(4-dimethylaminophenyl)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-(4-dimethylaminophenyl)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-(4-dimethylaminophenyl)urea CAS Name: 1-[4-[4-amino-7-[4-(4-methyl-1-piperazinyl)cyclohexyl]-5-pyrrolo[2,3-d]pyrimidinyl]-2-fluorophenyl]-3-(4-dimethylaminophenyl)urea IUPAC Name: 1-[4-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluorophenyl]-3-(4-dimethylaminophenyl)urea Traditional Name: 1-[4-[4-amino-7-[4-(4-methylpiperazino)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluoro-phenyl]-3-(4-dimethylaminophenyl)urea Formula: C32H40FN9O MolecularWeight: 585.718103

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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)NC6=CC=C(C=C6)N(C)C)F

Isomeric SMILES

CN1CCN(CC1)C2CCC(CC2)N3C=C(C4=C3N=CN=C4N)C5=CC(=C(C=C5)NC(=O)NC6=CC=C(C=C6)N(C)C)F

InChI

InChI=1S/C32H40FN9O/c1-39(2)23-7-5-22(6-8-23)37-32(43)38-28-13-4-21(18-27(28)33)26-19-42(31-29(26)30(34)35-20-36-31)25-11-9-24(10-12-25)41-16-14-40(3)15-17-41/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H2,34,35,36)(H2,37,38,43)