1-tert-butyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-tert-butyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-tert-butyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-tert-butyl-3-[4-(trifluoromethyl)phenyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-tert-butyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-tert-butyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C16H16F3N5 MolecularWeight: 335.32695

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C(=N1)C3=CC=C(C=C3)C(F)(F)F)C(=NC=N2)N

Isomeric SMILES

CC(C)(C)N1C2=C(C(=N1)C3=CC=C(C=C3)C(F)(F)F)C(=NC=N2)N

InChI

InChI=1S/C16H16F3N5/c1-15(2,3)24-14-11(13(20)21-8-22-14)12(23-24)9-4-6-10(7-5-9)16(17,18)19/h4-8H,1-3H3,(H2,20,21,22)