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

Systemtic Name: ethyl 2-[[6-azanyl-5-(furan-2-ylcarbonylamino)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]butanoate Openeye Name: ethyl 2-[[6-amino-5-(furan-2-carbonylamino)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]butanoate CAS Name: 2-[[6-amino-5-[[2-furanyl(oxo)methyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-[[6-amino-5-(furan-2-carbonylamino)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]butanoate Traditional Name: 2-[[6-amino-5-(2-furoylamino)-4-keto-1H-pyrimidin-2-yl]thio]butyric acid ethyl ester Formula: C15H18N4O5S MolecularWeight: 366.39222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O5S/c1-3-9(14(22)23-4-2)25-15-18-11(16)10(13(21)19-15)17-12(20)8-6-5-7-24-8/h5-7,9H,3-4H2,1-2H3,(H,17,20)(H3,16,18,19,21)