2-[[6-azanyl-5-(furan-2-ylcarbonylamino)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[6-azanyl-5-(furan-2-ylcarbonylamino)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: 2-[[6-amino-5-(furan-2-carbonylamino)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[6-amino-5-[[2-furanyl(oxo)methyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]acetate IUPAC Name: 2-[[6-amino-5-(furan-2-carbonylamino)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-amino-5-(2-furoylamino)-4-keto-1H-pyrimidin-2-yl]thio]acetate Formula: C11H9N4O5S- MolecularWeight: 309.27796

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)[O-])N

Isomeric SMILES

C1=COC(=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)[O-])N

InChI

InChI=1S/C11H10N4O5S/c12-8-7(13-9(18)5-2-1-3-20-5)10(19)15-11(14-8)21-4-6(16)17/h1-3H,4H2,(H,13,18)(H,16,17)(H3,12,14,15,19)/p-1