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

Systemtic Name: (2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylazaniumyl)propanoate Openeye Name: (2S)-2-(benzofuro[3,2-d]pyrimidin-4-ylammonio)propanoate CAS Name: (2S)-2-(4-benzofuro[3,2-d]pyrimidinylammonio)propanoate IUPAC Name: (2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylazaniumyl)propanoate Traditional Name: (2S)-2-(benzofuro[3,2-d]pyrimidin-4-ylammonio)propionate Formula: C13H11N3O3 MolecularWeight: 257.24474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])[NH2+]C1=NC=NC2=C1OC3=CC=CC=C32

Isomeric SMILES

C[C@@H](C(=O)[O-])[NH2+]C1=NC=NC2=C1OC3=CC=CC=C32

InChI

InChI=1S/C13H11N3O3/c1-7(13(17)18)16-12-11-10(14-6-15-12)8-4-2-3-5-9(8)19-11/h2-7H,1H3,(H,17,18)(H,14,15,16)/t7-/m0/s1