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

Systemtic Name: 3-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)propanoate Openeye Name: 3-(benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)propanoate CAS Name: 3-(4-benzofuro[3,2-d]pyrimidinylthio)propanoate IUPAC Name: 3-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)propanoate Traditional Name: 3-(benzofuro[3,2-d]pyrimidin-4-ylthio)propionate Formula: C13H9N2O3S- MolecularWeight: 273.28716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N2O3S/c16-10(17)5-6-19-13-12-11(14-7-15-13)8-3-1-2-4-9(8)18-12/h1-4,7H,5-6H2,(H,16,17)/p-1