2-[[6-[[3,5-bis(trifluoromethyl)phenyl]amino]-9-ethyl-purin-2-yl]amino]ethanol

Systemtic Name: 2-[[6-[[3,5-bis(trifluoromethyl)phenyl]amino]-9-ethyl-purin-2-yl]amino]ethanol Openeye Name: 2-[[6-[3,5-bis(trifluoromethyl)anilino]-9-ethyl-purin-2-yl]amino]ethanol CAS Name: 2-[[6-[3,5-bis(trifluoromethyl)anilino]-9-ethyl-2-purinyl]amino]ethanol IUPAC Name: 2-[[6-[3,5-bis(trifluoromethyl)anilino]-9-ethylpurin-2-yl]amino]ethanol Traditional Name: 2-[[6-[3,5-bis(trifluoromethyl)anilino]-9-ethyl-purin-2-yl]amino]ethanol Formula: C17H16F6N6O MolecularWeight: 434.338959

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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)NCCO

Isomeric SMILES

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

InChI

InChI=1S/C17H16F6N6O/c1-2-29-8-25-12-13(27-15(24-3-4-30)28-14(12)29)26-11-6-9(16(18,19)20)5-10(7-11)17(21,22)23/h5-8,30H,2-4H2,1H3,(H2,24,26,27,28)