6,7-dimethyl-4-oxidanidyl-2-phenyl-imidazo[1,5-a]pyrimidin-5-ium-8-carboxylate

Systemtic Name: 6,7-dimethyl-4-oxidanidyl-2-phenyl-imidazo[1,5-a]pyrimidin-5-ium-8-carboxylate Openeye Name: 6,7-dimethyl-4-oxido-2-phenyl-imidazo[1,5-a]pyrimidin-5-ium-8-carboxylate CAS Name: 6,7-dimethyl-4-oxido-2-phenyl-8-imidazo[1,5-a]pyrimidin-5-iumcarboxylate IUPAC Name: 6,7-dimethyl-4-oxido-2-phenylimidazo[1,5-a]pyrimidin-5-ium-8-carboxylate Traditional Name: 6,7-dimethyl-4-oxido-2-phenyl-imidazo[1,5-a]pyrimidin-5-ium-8-carboxylate Formula: C15H12N3O3- MolecularWeight: 282.27408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+]2C(=CC(=NC2=C(N1C)C(=O)[O-])C3=CC=CC=C3)[O-]

Isomeric SMILES

CC1=[N+]2C(=CC(=NC2=C(N1C)C(=O)[O-])C3=CC=CC=C3)[O-]

InChI

InChI=1S/C15H13N3O3/c1-9-17(2)13(15(20)21)14-16-11(8-12(19)18(9)14)10-6-4-3-5-7-10/h3-8H,1-2H3,(H-,16,19,20,21)/p-1