ethyl 4-[[6-azanyl-5-(furan-2-ylcarbonylamino)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[6-azanyl-5-(furan-2-ylcarbonylamino)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[[6-amino-5-(furan-2-carbonylamino)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-3-oxo-butanoate CAS Name: 4-[[6-amino-5-[[2-furanyl(oxo)methyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[6-amino-5-(furan-2-carbonylamino)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-3-oxobutanoate Traditional Name: 4-[[6-amino-5-(2-furoylamino)-4-keto-1H-pyrimidin-2-yl]thio]-3-keto-butyric acid ethyl ester Formula: C15H16N4O6S MolecularWeight: 380.37574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=CO2

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=CO2

InChI

InChI=1S/C15H16N4O6S/c1-2-24-10(21)6-8(20)7-26-15-18-12(16)11(14(23)19-15)17-13(22)9-4-3-5-25-9/h3-5H,2,6-7H2,1H3,(H,17,22)(H3,16,18,19,23)