1-[4-[4-azanyl-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluoranyl-phenyl]-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]-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]-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]-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]-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]-3-(m-tolyl)urea Formula: C30H36FN9O MolecularWeight: 557.664943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2=C(C=C(C=C2)C3=NN(C4=C3C(=NC=N4)N)C5CCC(CC5)N6CCN(CC6)C)F

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2=C(C=C(C=C2)C3=NN(C4=C3C(=NC=N4)N)C5CCC(CC5)N6CCN(CC6)C)F

InChI

InChI=1S/C30H36FN9O/c1-19-4-3-5-21(16-19)35-30(41)36-25-11-6-20(17-24(25)31)27-26-28(32)33-18-34-29(26)40(37-27)23-9-7-22(8-10-23)39-14-12-38(2)13-15-39/h3-6,11,16-18,22-23H,7-10,12-15H2,1-2H3,(H2,32,33,34)(H2,35,36,41)