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

Systemtic Name: N6-(3-ethoxypropyl)-N4-(3-fluorophenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-(3-ethoxypropyl)-N4-(3-fluorophenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N6-(3-ethoxypropyl)-N4-(3-fluorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 6-N-(3-ethoxypropyl)-4-N-(3-fluorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: 3-ethoxypropyl-[4-(3-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(=CC=C4)F

Isomeric SMILES

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

InChI

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