1-[4-[4-azanyl-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluoranyl-phenyl]-3-[2,6-bis(chloranyl)phenyl]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-[2,6-bis(chloranyl)phenyl]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-(2,6-dichlorophenyl)urea CAS Name: 1-[4-[4-amino-7-[4-(4-methyl-1-piperazinyl)cyclohexyl]-5-pyrrolo[2,3-d]pyrimidinyl]-2-fluorophenyl]-3-(2,6-dichlorophenyl)urea IUPAC Name: 1-[4-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluorophenyl]-3-(2,6-dichlorophenyl)urea Traditional Name: 1-[4-[4-amino-7-[4-(4-methylpiperazino)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluoro-phenyl]-3-(2,6-dichlorophenyl)urea Formula: C30H33Cl2FN8O MolecularWeight: 611.540423

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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=C(C=CC=C6Cl)Cl)F

Isomeric SMILES

CN1CCN(CC1)C2CCC(CC2)N3C=C(C4=C3N=CN=C4N)C5=CC(=C(C=C5)NC(=O)NC6=C(C=CC=C6Cl)Cl)F

InChI

InChI=1S/C30H33Cl2FN8O/c1-39-11-13-40(14-12-39)19-6-8-20(9-7-19)41-16-21(26-28(34)35-17-36-29(26)41)18-5-10-25(24(33)15-18)37-30(42)38-27-22(31)3-2-4-23(27)32/h2-5,10,15-17,19-20H,6-9,11-14H2,1H3,(H2,34,35,36)(H2,37,38,42)