6-chloranyl-9-[[2,3,5-tris(fluoranyl)phenyl]methyl]purin-2-amine

Systemtic Name: 6-chloranyl-9-[[2,3,5-tris(fluoranyl)phenyl]methyl]purin-2-amine Openeye Name: 6-chloro-9-[(2,3,5-trifluorophenyl)methyl]purin-2-amine CAS Name: 6-chloro-9-[(2,3,5-trifluorophenyl)methyl]-2-purinamine IUPAC Name: 6-chloro-9-[(2,3,5-trifluorophenyl)methyl]purin-2-amine Traditional Name: [6-chloro-9-(2,3,5-trifluorobenzyl)purin-2-yl]amine Formula: C12H7ClF3N5 MolecularWeight: 313.66569

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1F)F)CN2C=NC3=C2N=C(N=C3Cl)N)F

Isomeric SMILES

C1=C(C=C(C(=C1F)F)CN2C=NC3=C2N=C(N=C3Cl)N)F

InChI

InChI=1S/C12H7ClF3N5/c13-10-9-11(20-12(17)19-10)21(4-18-9)3-5-1-6(14)2-7(15)8(5)16/h1-2,4H,3H2,(H2,17,19,20)