6-(benzimidazol-1-yl)-5-nitro-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

Systemtic Name: 6-(benzimidazol-1-yl)-5-nitro-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Openeye Name: 6-(benzimidazol-1-yl)-5-nitro-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine CAS Name: 6-(1-benzimidazolyl)-5-nitro-N-[4-(trifluoromethyl)phenyl]-4-pyrimidinamine IUPAC Name: 6-(benzimidazol-1-yl)-5-nitro-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Traditional Name: [6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]-[4-(trifluoromethyl)phenyl]amine Formula: C18H11F3N6O2 MolecularWeight: 400.31415

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CN2C3=C(C(=NC=N3)NC4=CC=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=CN2C3=C(C(=NC=N3)NC4=CC=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H11F3N6O2/c19-18(20,21)11-5-7-12(8-6-11)25-16-15(27(28)29)17(23-9-22-16)26-10-24-13-3-1-2-4-14(13)26/h1-10H,(H,22,23,25)