3-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azaniumyl]benzoate

Systemtic Name: 3-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azaniumyl]benzoate Openeye Name: 3-[(2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)ammonio]benzoate CAS Name: 3-[(2-ethyl-4-benzofuro[3,2-d]pyrimidinyl)ammonio]benzoate IUPAC Name: 3-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azaniumyl]benzoate Traditional Name: 3-[(2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)ammonio]benzoate Formula: C19H15N3O3 MolecularWeight: 333.3407

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=N1)[NH2+]C3=CC=CC(=C3)C(=O)[O-])OC4=CC=CC=C42

Isomeric SMILES

CCC1=NC2=C(C(=N1)[NH2+]C3=CC=CC(=C3)C(=O)[O-])OC4=CC=CC=C42

InChI

InChI=1S/C19H15N3O3/c1-2-15-21-16-13-8-3-4-9-14(13)25-17(16)18(22-15)20-12-7-5-6-11(10-12)19(23)24/h3-10H,2H2,1H3,(H,23,24)(H,20,21,22)