N2-(2-azanylethyl)-N6-[4-chloranyl-3-(trifluoromethyl)phenyl]-9-ethyl-purine-2,6-diamine

Systemtic Name: N2-(2-azanylethyl)-N6-[4-chloranyl-3-(trifluoromethyl)phenyl]-9-ethyl-purine-2,6-diamine Openeye Name: N2-(2-aminoethyl)-N6-[4-chloro-3-(trifluoromethyl)phenyl]-9-ethyl-purine-2,6-diamine CAS Name: N2-(2-aminoethyl)-N6-[4-chloro-3-(trifluoromethyl)phenyl]-9-ethylpurine-2,6-diamine IUPAC Name: 2-N-(2-aminoethyl)-6-N-[4-chloro-3-(trifluoromethyl)phenyl]-9-ethylpurine-2,6-diamine Traditional Name: 2-aminoethyl-[6-[4-chloro-3-(trifluoromethyl)anilino]-9-ethyl-purin-2-yl]amine Formula: C16H17ClF3N7 MolecularWeight: 399.80129

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClF3N7/c1-2-27-8-23-12-13(25-15(22-6-5-21)26-14(12)27)24-9-3-4-11(17)10(7-9)16(18,19)20/h3-4,7-8H,2,5-6,21H2,1H3,(H2,22,24,25,26)