1-(2-ethylphenyl)-N-[4-(trifluoromethyloxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-(2-ethylphenyl)-N-[4-(trifluoromethyloxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-(2-ethylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-(2-ethylphenyl)-N-[4-(trifluoromethoxy)phenyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-(2-ethylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-(2-ethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-[4-(trifluoromethoxy)phenyl]amine Formula: C20H16F3N5O MolecularWeight: 399.36915

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C3=C(C=N2)C(=NC=N3)NC4=CC=C(C=C4)OC(F)(F)F

Isomeric SMILES

CCC1=CC=CC=C1N2C3=C(C=N2)C(=NC=N3)NC4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C20H16F3N5O/c1-2-13-5-3-4-6-17(13)28-19-16(11-26-28)18(24-12-25-19)27-14-7-9-15(10-8-14)29-20(21,22)23/h3-12H,2H2,1H3,(H,24,25,27)