4-(trifluoromethyl)pyrimido[1,2-a]benzimidazole-3-carboxylate

Systemtic Name: 4-(trifluoromethyl)pyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: 4-(trifluoromethyl)pyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: 4-(trifluoromethyl)-3-pyrimido[1,2-a]benzimidazolecarboxylate IUPAC Name: 4-(trifluoromethyl)pyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: 4-(trifluoromethyl)pyrimido[1,2-a]benzimidazole-3-carboxylate Formula: C12H5F3N3O2- MolecularWeight: 280.18221

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C3N2C(=C(C=N3)C(=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C3N2C(=C(C=N3)C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C12H6F3N3O2/c13-12(14,15)9-6(10(19)20)5-16-11-17-7-3-1-2-4-8(7)18(9)11/h1-5H,(H,19,20)/p-1