N-butan-2-yl-N-[6-[[4-chloranyl-3-(trifluoromethyl)phenyl]amino]-9-ethyl-purin-2-yl]hydroxylamine

Systemtic Name: N-butan-2-yl-N-[6-[[4-chloranyl-3-(trifluoromethyl)phenyl]amino]-9-ethyl-purin-2-yl]hydroxylamine Openeye Name: N-[6-[4-chloro-3-(trifluoromethyl)anilino]-9-ethyl-purin-2-yl]-N-sec-butyl-hydroxylamine CAS Name: N-butan-2-yl-N-[6-[4-chloro-3-(trifluoromethyl)anilino]-9-ethyl-2-purinyl]hydroxylamine IUPAC Name: N-butan-2-yl-N-[6-[4-chloro-3-(trifluoromethyl)anilino]-9-ethylpurin-2-yl]hydroxylamine Traditional Name: N-[6-[4-chloro-3-(trifluoromethyl)anilino]-9-ethyl-purin-2-yl]-N-sec-butyl-hydroxylamine Formula: C18H20ClF3N6O MolecularWeight: 428.83921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClF3N6O/c1-4-10(3)28(29)17-25-15(14-16(26-17)27(5-2)9-23-14)24-11-6-7-13(19)12(8-11)18(20,21)22/h6-10,29H,4-5H2,1-3H3,(H,24,25,26)