2-chloranyl-9-pentan-3-yl-N-[4-(trifluoromethyloxy)phenyl]purin-6-amine

Systemtic Name: 2-chloranyl-9-pentan-3-yl-N-[4-(trifluoromethyloxy)phenyl]purin-6-amine Openeye Name: 2-chloro-9-(1-ethylpropyl)-N-[4-(trifluoromethoxy)phenyl]purin-6-amine CAS Name: 2-chloro-9-pentan-3-yl-N-[4-(trifluoromethoxy)phenyl]-6-purinamine IUPAC Name: 2-chloro-9-pentan-3-yl-N-[4-(trifluoromethoxy)phenyl]purin-6-amine Traditional Name: [2-chloro-9-(1-ethylpropyl)purin-6-yl]-[4-(trifluoromethoxy)phenyl]amine Formula: C17H17ClF3N5O MolecularWeight: 399.79799

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClF3N5O/c1-3-11(4-2)26-9-22-13-14(24-16(18)25-15(13)26)23-10-5-7-12(8-6-10)27-17(19,20)21/h5-9,11H,3-4H2,1-2H3,(H,23,24,25)