N2-(2-azanylethyl)-N6-[3,5-bis(trifluoromethyl)phenyl]-9-ethyl-purine-2,6-diamine

Systemtic Name: N2-(2-azanylethyl)-N6-[3,5-bis(trifluoromethyl)phenyl]-9-ethyl-purine-2,6-diamine Openeye Name: N2-(2-aminoethyl)-N6-[3,5-bis(trifluoromethyl)phenyl]-9-ethyl-purine-2,6-diamine CAS Name: N2-(2-aminoethyl)-N6-[3,5-bis(trifluoromethyl)phenyl]-9-ethylpurine-2,6-diamine IUPAC Name: 2-N-(2-aminoethyl)-6-N-[3,5-bis(trifluoromethyl)phenyl]-9-ethylpurine-2,6-diamine Traditional Name: 2-aminoethyl-[6-[3,5-bis(trifluoromethyl)anilino]-9-ethyl-purin-2-yl]amine Formula: C17H17F6N7 MolecularWeight: 433.354199

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17F6N7/c1-2-30-8-26-12-13(28-15(25-4-3-24)29-14(12)30)27-11-6-9(16(18,19)20)5-10(7-11)17(21,22)23/h5-8H,2-4,24H2,1H3,(H2,25,27,28,29)