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

Systemtic Name: 1-butyl-N-[4-(trifluoromethyloxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-butyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-butyl-N-[4-(trifluoromethoxy)phenyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-butyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (1-butylpyrazolo[3,4-d]pyrimidin-4-yl)-[4-(trifluoromethoxy)phenyl]amine Formula: C16H16F3N5O MolecularWeight: 351.32635

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=N1)C(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CCCCN1C2=C(C=N1)C(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C16H16F3N5O/c1-2-3-8-24-15-13(9-22-24)14(20-10-21-15)23-11-4-6-12(7-5-11)25-16(17,18)19/h4-7,9-10H,2-3,8H2,1H3,(H,20,21,23)