8-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfanyl-7H-purin-6-amine

Systemtic Name: 8-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfanyl-7H-purin-6-amine Openeye Name: 8-[2-chloro-5-(trifluoromethyl)phenyl]sulfanyl-7H-purin-6-amine CAS Name: 8-[[2-chloro-5-(trifluoromethyl)phenyl]thio]-7H-purin-6-amine IUPAC Name: 8-[2-chloro-5-(trifluoromethyl)phenyl]sulfanyl-7H-purin-6-amine Traditional Name: [8-[[2-chloro-5-(trifluoromethyl)phenyl]thio]-7H-purin-6-yl]amine Formula: C12H7ClF3N5S MolecularWeight: 345.73069

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)SC2=NC3=C(N2)C(=NC=N3)N)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)SC2=NC3=C(N2)C(=NC=N3)N)Cl

InChI

InChI=1S/C12H7ClF3N5S/c13-6-2-1-5(12(14,15)16)3-7(6)22-11-20-8-9(17)18-4-19-10(8)21-11/h1-4H,(H3,17,18,19,20,21)