2-([1]benzofuro[3,2-d]pyrimidin-4-ylazaniumyl)ethanoate

Systemtic Name: 2-([1]benzofuro[3,2-d]pyrimidin-4-ylazaniumyl)ethanoate Openeye Name: 2-(benzofuro[3,2-d]pyrimidin-4-ylammonio)acetate CAS Name: 2-(4-benzofuro[3,2-d]pyrimidinylammonio)acetate IUPAC Name: 2-([1]benzofuro[3,2-d]pyrimidin-4-ylazaniumyl)acetate Traditional Name: 2-(benzofuro[3,2-d]pyrimidin-4-ylammonio)acetate Formula: C12H9N3O3 MolecularWeight: 243.21816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)[NH2+]CC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)[NH2+]CC(=O)[O-]

InChI

InChI=1S/C12H9N3O3/c16-9(17)5-13-12-11-10(14-6-15-12)7-3-1-2-4-8(7)18-11/h1-4,6H,5H2,(H,16,17)(H,13,14,15)