9-butan-2-yl-2-chloranyl-N-[4-(trifluoromethyloxy)phenyl]purin-6-amine

Systemtic Name: 9-butan-2-yl-2-chloranyl-N-[4-(trifluoromethyloxy)phenyl]purin-6-amine Openeye Name: 2-chloro-9-sec-butyl-N-[4-(trifluoromethoxy)phenyl]purin-6-amine CAS Name: 9-butan-2-yl-2-chloro-N-[4-(trifluoromethoxy)phenyl]-6-purinamine IUPAC Name: 9-butan-2-yl-2-chloro-N-[4-(trifluoromethoxy)phenyl]purin-6-amine Traditional Name: (2-chloro-9-sec-butyl-purin-6-yl)-[4-(trifluoromethoxy)phenyl]amine Formula: C16H15ClF3N5O MolecularWeight: 385.77141

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)OC(F)(F)F)Cl

Isomeric SMILES

CCC(C)N1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)OC(F)(F)F)Cl

InChI

InChI=1S/C16H15ClF3N5O/c1-3-9(2)25-8-21-12-13(23-15(17)24-14(12)25)22-10-4-6-11(7-5-10)26-16(18,19)20/h4-9H,3H2,1-2H3,(H,22,23,24)