N-[2-chloranyl-5-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [2-chloro-5-(trifluoromethyl)phenyl]-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)amine Formula: C12H7ClF3N5 MolecularWeight: 313.66569

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)NC2=NC=NC3=C2C=NN3)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)NC2=NC=NC3=C2C=NN3)Cl

InChI

InChI=1S/C12H7ClF3N5/c13-8-2-1-6(12(14,15)16)3-9(8)20-10-7-4-19-21-11(7)18-5-17-10/h1-5H,(H2,17,18,19,20,21)