1-[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-fluoranyl-phenyl]-1-(3-methylphenyl)urea dihydrochloride

Systemtic Name: 1-[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-fluoranyl-phenyl]-1-(3-methylphenyl)urea dihydrochloride Openeye Name: 1-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluoro-phenyl]-1-(m-tolyl)urea dihydrochloride CAS Name: 1-[4-[4-amino-1-(4-piperidinyl)-3-pyrazolo[3,4-d]pyrimidinyl]-2-fluorophenyl]-1-(3-methylphenyl)urea dihydrochloride IUPAC Name: 1-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-1-(3-methylphenyl)urea dihydrochloride Traditional Name: 1-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluoro-phenyl]-1-(m-tolyl)urea dihydrochloride Formula: C24H27Cl2FN8O MolecularWeight: 533.428583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C2=C(C=C(C=C2)C3=NN(C4=C3C(=NC=N4)N)C5CCNCC5)F)C(=O)N.Cl.Cl

Isomeric SMILES

CC1=CC(=CC=C1)N(C2=C(C=C(C=C2)C3=NN(C4=C3C(=NC=N4)N)C5CCNCC5)F)C(=O)N.Cl.Cl

InChI

InChI=1S/C24H25FN8O.2ClH/c1-14-3-2-4-17(11-14)32(24(27)34)19-6-5-15(12-18(19)25)21-20-22(26)29-13-30-23(20)33(31-21)16-7-9-28-10-8-16;;/h2-6,11-13,16,28H,7-10H2,1H3,(H2,27,34)(H2,26,29,30);2*1H