N4-(3-fluorophenyl)-1-phenyl-N6-prop-2-enyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N4-(3-fluorophenyl)-1-phenyl-N6-prop-2-enyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-allyl-N4-(3-fluorophenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-fluorophenyl)-1-phenyl-N6-prop-2-enylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-fluorophenyl)-1-phenyl-6-N-prop-2-enylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: allyl-[4-(3-fluoroanilino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C20H17FN6 MolecularWeight: 360.387583

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC(=CC=C4)F

Isomeric SMILES

C=CCNC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC(=CC=C4)F

InChI

InChI=1S/C20H17FN6/c1-2-11-22-20-25-18(24-15-8-6-7-14(21)12-15)17-13-23-27(19(17)26-20)16-9-4-3-5-10-16/h2-10,12-13H,1,11H2,(H2,22,24,25,26)