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

Systemtic Name: 2-[[6-azanyl-5-[(5-bromanylfuran-2-yl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]hexanoic acid Openeye Name: 2-[[6-amino-5-[(5-bromofuran-2-carbonyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]hexanoic acid CAS Name: 2-[[6-amino-5-[[(5-bromo-2-furanyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]hexanoic acid IUPAC Name: 2-[[6-amino-5-[(5-bromofuran-2-carbonyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]hexanoic acid Traditional Name: 2-[[6-amino-5-[(5-bromo-2-furoyl)amino]-4-keto-1H-pyrimidin-2-yl]thio]hexanoic acid Formula: C15H17BrN4O5S MolecularWeight: 445.28828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(O2)Br

Isomeric SMILES

CCCCC(C(=O)O)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C15H17BrN4O5S/c1-2-3-4-8(14(23)24)26-15-19-11(17)10(13(22)20-15)18-12(21)7-5-6-9(16)25-7/h5-6,8H,2-4H2,1H3,(H,18,21)(H,23,24)(H3,17,19,20,22)