2-chloranyl-N-[3-(trifluoromethyl)phenyl]-7H-purin-6-amine

Systemtic Name: 2-chloranyl-N-[3-(trifluoromethyl)phenyl]-7H-purin-6-amine Openeye Name: 2-chloro-N-[3-(trifluoromethyl)phenyl]-7H-purin-6-amine CAS Name: 2-chloro-N-[3-(trifluoromethyl)phenyl]-7H-purin-6-amine IUPAC Name: 2-chloro-N-[3-(trifluoromethyl)phenyl]-7H-purin-6-amine Traditional Name: (2-chloro-7H-purin-6-yl)-[3-(trifluoromethyl)phenyl]amine Formula: C12H7ClF3N5 MolecularWeight: 313.66569

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC(=NC3=C2NC=N3)Cl)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC(=NC3=C2NC=N3)Cl)C(F)(F)F

InChI

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