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

Systemtic Name: N6-cycloheptyl-N4-(4-fluorophenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-cycloheptyl-N4-(4-fluorophenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N6-cycloheptyl-N4-(4-fluorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 6-N-cycloheptyl-4-N-(4-fluorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: cycloheptyl-[4-(4-fluoroanilino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C24H25FN6 MolecularWeight: 416.493903

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=NC3=C(C=NN3C4=CC=CC=C4)C(=N2)NC5=CC=C(C=C5)F

Isomeric SMILES

C1CCCC(CC1)NC2=NC3=C(C=NN3C4=CC=CC=C4)C(=N2)NC5=CC=C(C=C5)F

InChI

InChI=1S/C24H25FN6/c25-17-12-14-19(15-13-17)27-22-21-16-26-31(20-10-6-3-7-11-20)23(21)30-24(29-22)28-18-8-4-1-2-5-9-18/h3,6-7,10-16,18H,1-2,4-5,8-9H2,(H2,27,28,29,30)