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

Systemtic Name: N6,N6-diethyl-N4-(3-fluorophenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6,N6-diethyl-N4-(3-fluorophenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N6,N6-diethyl-N4-(3-fluorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 6-N,6-N-diethyl-4-N-(3-fluorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: diethyl-[4-(3-fluoroanilino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C21H21FN6 MolecularWeight: 376.430043

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC(=CC=C4)F

Isomeric SMILES

CCN(CC)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC(=CC=C4)F

InChI

InChI=1S/C21H21FN6/c1-3-27(4-2)21-25-19(24-16-10-8-9-15(22)13-16)18-14-23-28(20(18)26-21)17-11-6-5-7-12-17/h5-14H,3-4H2,1-2H3,(H,24,25,26)