1-[4-[4-azanyl-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluoranyl-phenyl]-1-ethyl-3-(3-methylphenyl)urea

Systemtic Name: 1-[4-[4-azanyl-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluoranyl-phenyl]-1-ethyl-3-(3-methylphenyl)urea Openeye Name: 1-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluoro-phenyl]-1-ethyl-3-(m-tolyl)urea CAS Name: 1-[4-[4-amino-1-[4-(4-methyl-1-piperazinyl)cyclohexyl]-3-pyrazolo[3,4-d]pyrimidinyl]-2-fluorophenyl]-1-ethyl-3-(3-methylphenyl)urea IUPAC Name: 1-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenyl]-1-ethyl-3-(3-methylphenyl)urea Traditional Name: 1-[4-[4-amino-1-[4-(4-methylpiperazino)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluoro-phenyl]-1-ethyl-3-(m-tolyl)urea Formula: C32H40FN9O MolecularWeight: 585.718103

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C=C(C=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCC(CC4)N5CCN(CC5)C)F)C(=O)NC6=CC=CC(=C6)C

Isomeric SMILES

CCN(C1=C(C=C(C=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCC(CC4)N5CCN(CC5)C)F)C(=O)NC6=CC=CC(=C6)C

InChI

InChI=1S/C32H40FN9O/c1-4-41(32(43)37-23-7-5-6-21(2)18-23)27-13-8-22(19-26(27)33)29-28-30(34)35-20-36-31(28)42(38-29)25-11-9-24(10-12-25)40-16-14-39(3)15-17-40/h5-8,13,18-20,24-25H,4,9-12,14-17H2,1-3H3,(H,37,43)(H2,34,35,36)