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

Systemtic Name: N6-(3-ethoxypropyl)-N4-(4-fluorophenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-(3-ethoxypropyl)-N4-(4-fluorophenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N6-(3-ethoxypropyl)-N4-(4-fluorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 6-N-(3-ethoxypropyl)-4-N-(4-fluorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: 3-ethoxypropyl-[4-(4-fluoroanilino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C22H23FN6O MolecularWeight: 406.456023

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC=C(C=C4)F

Isomeric SMILES

CCOCCCNC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN6O/c1-2-30-14-6-13-24-22-27-20(26-17-11-9-16(23)10-12-17)19-15-25-29(21(19)28-22)18-7-4-3-5-8-18/h3-5,7-12,15H,2,6,13-14H2,1H3,(H2,24,26,27,28)