N4-[1-(2-fluorophenyl)-6-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexane-1,4-diamine

Systemtic Name: N4-[1-(2-fluorophenyl)-6-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexane-1,4-diamine Openeye Name: N4-[1-(2-fluorophenyl)-6-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexane-1,4-diamine CAS Name: N4-[1-(2-fluorophenyl)-6-methyl-4-pyrazolo[3,4-d]pyrimidinyl]cyclohexane-1,4-diamine IUPAC Name: 4-N-[1-(2-fluorophenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-yl]cyclohexane-1,4-diamine Traditional Name: (4-aminocyclohexyl)-[1-(2-fluorophenyl)-6-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C18H21FN6 MolecularWeight: 340.397943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C3=CC=CC=C3F)C(=N1)NC4CCC(CC4)N

Isomeric SMILES

CC1=NC2=C(C=NN2C3=CC=CC=C3F)C(=N1)NC4CCC(CC4)N

InChI

InChI=1S/C18H21FN6/c1-11-22-17(24-13-8-6-12(20)7-9-13)14-10-21-25(18(14)23-11)16-5-3-2-4-15(16)19/h2-5,10,12-13H,6-9,20H2,1H3,(H,22,23,24)