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

Systemtic Name: 2-[[6-azanyl-5-[(5-bromanylfuran-2-yl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: 2-[[6-amino-5-[(5-bromofuran-2-carbonyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[6-amino-5-[[(5-bromo-2-furanyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]acetate IUPAC Name: 2-[[6-amino-5-[(5-bromofuran-2-carbonyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-amino-5-[(5-bromo-2-furoyl)amino]-4-keto-1H-pyrimidin-2-yl]thio]acetate Formula: C11H8BrN4O5S- MolecularWeight: 388.17402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9BrN4O5S/c12-5-2-1-4(21-5)9(19)14-7-8(13)15-11(16-10(7)20)22-3-6(17)18/h1-2H,3H2,(H,14,19)(H,17,18)(H3,13,15,16,20)/p-1