N2-(2-azanylethyl)-9-ethyl-N6-[3-(trifluoromethyl)phenyl]purine-2,6-diamine

Systemtic Name: N2-(2-azanylethyl)-9-ethyl-N6-[3-(trifluoromethyl)phenyl]purine-2,6-diamine Openeye Name: N2-(2-aminoethyl)-9-ethyl-N6-[3-(trifluoromethyl)phenyl]purine-2,6-diamine CAS Name: N2-(2-aminoethyl)-9-ethyl-N6-[3-(trifluoromethyl)phenyl]purine-2,6-diamine IUPAC Name: 2-N-(2-aminoethyl)-9-ethyl-6-N-[3-(trifluoromethyl)phenyl]purine-2,6-diamine Traditional Name: 2-aminoethyl-[9-ethyl-6-[3-(trifluoromethyl)anilino]purin-2-yl]amine Formula: C16H18F3N7 MolecularWeight: 365.35623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18F3N7/c1-2-26-9-22-12-13(24-15(21-7-6-20)25-14(12)26)23-11-5-3-4-10(8-11)16(17,18)19/h3-5,8-9H,2,6-7,20H2,1H3,(H2,21,23,24,25)