2-chloranyl-9-ethyl-N-[3-(trifluoromethyl)phenyl]purin-6-amine

Systemtic Name: 2-chloranyl-9-ethyl-N-[3-(trifluoromethyl)phenyl]purin-6-amine Openeye Name: 2-chloro-9-ethyl-N-[3-(trifluoromethyl)phenyl]purin-6-amine CAS Name: 2-chloro-9-ethyl-N-[3-(trifluoromethyl)phenyl]-6-purinamine IUPAC Name: 2-chloro-9-ethyl-N-[3-(trifluoromethyl)phenyl]purin-6-amine Traditional Name: (2-chloro-9-ethyl-purin-6-yl)-[3-(trifluoromethyl)phenyl]amine Formula: C14H11ClF3N5 MolecularWeight: 341.71885

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C14H11ClF3N5/c1-2-23-7-19-10-11(21-13(15)22-12(10)23)20-9-5-3-4-8(6-9)14(16,17)18/h3-7H,2H2,1H3,(H,20,21,22)