6-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-7H-purine

Systemtic Name: 6-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-7H-purine Openeye Name: 6-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-7H-purine CAS Name: 6-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-7H-purine IUPAC Name: 6-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-7H-purine Traditional Name: 6-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-7H-purine Formula: C12H6F3N5O2S MolecularWeight: 341.26855

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])SC2=NC=NC3=C2NC=N3

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])SC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C12H6F3N5O2S/c13-12(14,15)6-1-2-8(7(3-6)20(21)22)23-11-9-10(17-4-16-9)18-5-19-11/h1-5H,(H,16,17,18,19)