ethyl 4-oxidanylidene-7-(phenylmethyl)-1H-imidazo[1,5-a]pyrimidin-7-ium-3-carboxylate

Systemtic Name: ethyl 4-oxidanylidene-7-(phenylmethyl)-1H-imidazo[1,5-a]pyrimidin-7-ium-3-carboxylate Openeye Name: ethyl 7-benzyl-4-oxo-1H-imidazo[1,5-a]pyrimidin-7-ium-3-carboxylate CAS Name: 4-oxo-7-(phenylmethyl)-1H-imidazo[1,5-a]pyrimidin-7-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7-benzyl-4-oxo-1H-imidazo[1,5-a]pyrimidin-7-ium-3-carboxylate Traditional Name: 7-benzyl-4-keto-1H-imidazo[1,5-a]pyrimidin-7-ium-3-carboxylic acid ethyl ester Formula: C16H16N3O3+ MolecularWeight: 298.31654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC2=C[N+](=CN2C1=O)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CNC2=C[N+](=CN2C1=O)CC3=CC=CC=C3

InChI

InChI=1S/C16H15N3O3/c1-2-22-16(21)13-8-17-14-10-18(11-19(14)15(13)20)9-12-6-4-3-5-7-12/h3-8,10-11H,2,9H2,1H3/p+1