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

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [2-chloro-5-(trifluoromethyl)phenyl]-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amine Formula: C13H9ClF3N5 MolecularWeight: 327.69227

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)NC3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)NC3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C13H9ClF3N5/c1-22-12-8(5-20-22)11(18-6-19-12)21-10-4-7(13(15,16)17)2-3-9(10)14/h2-6H,1H3,(H,18,19,21)