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

Systemtic Name: 2-[[6-azanyl-5-(furan-2-ylcarbonylamino)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]propanoic acid Openeye Name: 2-[[6-amino-5-(furan-2-carbonylamino)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoic acid CAS Name: 2-[[6-amino-5-[[2-furanyl(oxo)methyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]propanoic acid IUPAC Name: 2-[[6-amino-5-(furan-2-carbonylamino)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoic acid Traditional Name: 2-[[6-amino-5-(2-furoylamino)-4-keto-1H-pyrimidin-2-yl]thio]propionic acid Formula: C12H12N4O5S MolecularWeight: 324.31248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=CO2

Isomeric SMILES

CC(C(=O)O)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=CO2

InChI

InChI=1S/C12H12N4O5S/c1-5(11(19)20)22-12-15-8(13)7(10(18)16-12)14-9(17)6-3-2-4-21-6/h2-5H,1H3,(H,14,17)(H,19,20)(H3,13,15,16,18)