N-butan-2-yl-N-[9-ethyl-6-[[4-(trifluoromethyl)phenyl]amino]purin-2-yl]hydroxylamine

Systemtic Name: N-butan-2-yl-N-[9-ethyl-6-[[4-(trifluoromethyl)phenyl]amino]purin-2-yl]hydroxylamine Openeye Name: N-[9-ethyl-6-[4-(trifluoromethyl)anilino]purin-2-yl]-N-sec-butyl-hydroxylamine CAS Name: N-butan-2-yl-N-[9-ethyl-6-[4-(trifluoromethyl)anilino]-2-purinyl]hydroxylamine IUPAC Name: N-butan-2-yl-N-[9-ethyl-6-[4-(trifluoromethyl)anilino]purin-2-yl]hydroxylamine Traditional Name: N-[9-ethyl-6-[4-(trifluoromethyl)anilino]purin-2-yl]-N-sec-butyl-hydroxylamine Formula: C18H21F3N6O MolecularWeight: 394.39415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C1=NC2=C(C(=N1)NC3=CC=C(C=C3)C(F)(F)F)N=CN2CC)O

Isomeric SMILES

CCC(C)N(C1=NC2=C(C(=N1)NC3=CC=C(C=C3)C(F)(F)F)N=CN2CC)O

InChI

InChI=1S/C18H21F3N6O/c1-4-11(3)27(28)17-24-15(14-16(25-17)26(5-2)10-22-14)23-13-8-6-12(7-9-13)18(19,20)21/h6-11,28H,4-5H2,1-3H3,(H,23,24,25)