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

Systemtic Name: 2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azaniumyl]ethanoate Openeye Name: 2-[(2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)ammonio]acetate CAS Name: 2-[(2-ethyl-4-benzofuro[3,2-d]pyrimidinyl)ammonio]acetate IUPAC Name: 2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azaniumyl]acetate Traditional Name: 2-[(2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)ammonio]acetate Formula: C14H13N3O3 MolecularWeight: 271.27132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=N1)[NH2+]CC(=O)[O-])OC3=CC=CC=C32

Isomeric SMILES

CCC1=NC2=C(C(=N1)[NH2+]CC(=O)[O-])OC3=CC=CC=C32

InChI

InChI=1S/C14H13N3O3/c1-2-10-16-12-8-5-3-4-6-9(8)20-13(12)14(17-10)15-7-11(18)19/h3-6H,2,7H2,1H3,(H,18,19)(H,15,16,17)