methyl 5-[[6-azanyl-5-(furan-2-ylcarbonylamino)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[6-azanyl-5-(furan-2-ylcarbonylamino)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[6-amino-5-(furan-2-carbonylamino)-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[6-amino-5-[[2-furanyl(oxo)methyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[6-amino-5-(furan-2-carbonylamino)-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[6-amino-5-(2-furoylamino)-4-keto-1H-pyrimidin-2-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C16H14N4O6S MolecularWeight: 390.37056

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CO3

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CO3

InChI

InChI=1S/C16H14N4O6S/c1-24-15(23)10-5-4-8(26-10)7-27-16-19-12(17)11(14(22)20-16)18-13(21)9-3-2-6-25-9/h2-6H,7H2,1H3,(H,18,21)(H3,17,19,20,22)