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

Systemtic Name: diethyl 2-[[6-azanyl-5-(furan-2-ylcarbonylamino)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]propanedioate Openeye Name: diethyl 2-[[6-amino-5-(furan-2-carbonylamino)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanedioate CAS Name: 2-[[6-amino-5-[[2-furanyl(oxo)methyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[6-amino-5-(furan-2-carbonylamino)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanedioate Traditional Name: 2-[[6-amino-5-(2-furoylamino)-4-keto-1H-pyrimidin-2-yl]thio]malonic acid diethyl ester Formula: C16H18N4O7S MolecularWeight: 410.40172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O7S/c1-3-25-14(23)10(15(24)26-4-2)28-16-19-11(17)9(13(22)20-16)18-12(21)8-6-5-7-27-8/h5-7,10H,3-4H2,1-2H3,(H,18,21)(H3,17,19,20,22)