1-[4-[4-azanyl-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluoranyl-phenyl]-3-[3,5-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-[3,5-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-(3,5-dichlorophenyl)urea CAS Name: 1-[4-[4-amino-7-[4-(4-methyl-1-piperazinyl)cyclohexyl]-5-pyrrolo[2,3-d]pyrimidinyl]-2-fluorophenyl]-3-(3,5-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-(3,5-dichlorophenyl)urea Traditional Name: 1-[4-[4-amino-7-[4-(4-methylpiperazino)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluoro-phenyl]-3-(3,5-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=CC(=CC(=C6)Cl)Cl)F

Isomeric SMILES

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

InChI

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