3-ethoxycarbonyl-7-(phenylmethyl)imidazo[1,5-a]pyrimidin-5-ium-4-olate

Systemtic Name: 3-ethoxycarbonyl-7-(phenylmethyl)imidazo[1,5-a]pyrimidin-5-ium-4-olate Openeye Name: 7-benzyl-3-ethoxycarbonyl-imidazo[1,5-a]pyrimidin-5-ium-4-olate CAS Name: 3-ethoxycarbonyl-7-(phenylmethyl)-4-imidazo[1,5-a]pyrimidin-5-iumolate IUPAC Name: 7-benzyl-3-ethoxycarbonylimidazo[1,5-a]pyrimidin-5-ium-4-olate Traditional Name: 7-benzyl-3-carbethoxy-imidazo[1,5-a]pyrimidin-5-ium-4-olate Formula: C16H15N3O3 MolecularWeight: 297.3086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([N+]2=CN(C=C2N=C1)CC3=CC=CC=C3)[O-]

Isomeric SMILES

CCOC(=O)C1=C([N+]2=CN(C=C2N=C1)CC3=CC=CC=C3)[O-]

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