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

Systemtic Name: N4-(3-fluorophenyl)-N6-(3-methoxypropyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-fluorophenyl)-N6-(3-methoxypropyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-fluorophenyl)-N6-(3-methoxypropyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-fluorophenyl)-6-N-(3-methoxypropyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3-fluoroanilino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]-(3-methoxypropyl)amine Formula: C21H21FN6O MolecularWeight: 392.429443

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC(=CC=C4)F

Isomeric SMILES

COCCCNC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC(=CC=C4)F

InChI

InChI=1S/C21H21FN6O/c1-29-12-6-11-23-21-26-19(25-16-8-5-7-15(22)13-16)18-14-24-28(20(18)27-21)17-9-3-2-4-10-17/h2-5,7-10,13-14H,6,11-12H2,1H3,(H2,23,25,26,27)