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

Systemtic Name: 2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azaniumyl]ethanoate Openeye Name: 2-[(2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)ammonio]acetate CAS Name: 2-[(2-phenyl-4-benzofuro[3,2-d]pyrimidinyl)ammonio]acetate IUPAC Name: 2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azaniumyl]acetate Traditional Name: 2-[(2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)ammonio]acetate Formula: C18H13N3O3 MolecularWeight: 319.31412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(C(=N2)[NH2+]CC(=O)[O-])OC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(C(=N2)[NH2+]CC(=O)[O-])OC4=CC=CC=C43

InChI

InChI=1S/C18H13N3O3/c22-14(23)10-19-18-16-15(12-8-4-5-9-13(12)24-16)20-17(21-18)11-6-2-1-3-7-11/h1-9H,10H2,(H,22,23)(H,19,20,21)