9-(3-chloranylpyridin-4-yl)-6-ethyl-2-(trifluoromethyl)purine

Systemtic Name: 9-(3-chloranylpyridin-4-yl)-6-ethyl-2-(trifluoromethyl)purine Openeye Name: 9-(3-chloro-4-pyridyl)-6-ethyl-2-(trifluoromethyl)purine CAS Name: 9-(3-chloro-4-pyridinyl)-6-ethyl-2-(trifluoromethyl)purine IUPAC Name: 9-(3-chloropyridin-4-yl)-6-ethyl-2-(trifluoromethyl)purine Traditional Name: 9-(3-chloro-4-pyridyl)-6-ethyl-2-(trifluoromethyl)purine Formula: C13H9ClF3N5 MolecularWeight: 327.69227

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=NC(=N1)C(F)(F)F)N(C=N2)C3=C(C=NC=C3)Cl

Isomeric SMILES

CCC1=C2C(=NC(=N1)C(F)(F)F)N(C=N2)C3=C(C=NC=C3)Cl

InChI

InChI=1S/C13H9ClF3N5/c1-2-8-10-11(21-12(20-8)13(15,16)17)22(6-19-10)9-3-4-18-5-7(9)14/h3-6H,2H2,1H3