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

Systemtic Name: ethyl 2-[[6-azanyl-5-(furan-2-ylcarbonylamino)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]propanoate Openeye Name: ethyl 2-[[6-amino-5-(furan-2-carbonylamino)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoate CAS Name: 2-[[6-amino-5-[[2-furanyl(oxo)methyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[6-amino-5-(furan-2-carbonylamino)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoate Traditional Name: 2-[[6-amino-5-(2-furoylamino)-4-keto-1H-pyrimidin-2-yl]thio]propionic acid ethyl ester Formula: C14H16N4O5S MolecularWeight: 352.36564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O5S/c1-3-22-13(21)7(2)24-14-17-10(15)9(12(20)18-14)16-11(19)8-5-4-6-23-8/h4-7H,3H2,1-2H3,(H,16,19)(H3,15,17,18,20)