N4-cyclohexyl-N6-(3-fluorophenyl)-1-methyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N4-cyclohexyl-N6-(3-fluorophenyl)-1-methyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-cyclohexyl-N6-(3-fluorophenyl)-1-methyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-cyclohexyl-N6-(3-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-cyclohexyl-6-N-(3-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: cyclohexyl-[6-(3-fluoroanilino)-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C18H21FN6 MolecularWeight: 340.397943

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC(=N2)NC3=CC(=CC=C3)F)NC4CCCCC4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC(=N2)NC3=CC(=CC=C3)F)NC4CCCCC4

InChI

InChI=1S/C18H21FN6/c1-25-17-15(11-20-25)16(21-13-7-3-2-4-8-13)23-18(24-17)22-14-9-5-6-12(19)10-14/h5-6,9-11,13H,2-4,7-8H2,1H3,(H2,21,22,23,24)