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

Systemtic Name: ethyl 2-[[6-azanyl-5-[(5-bromanylfuran-2-yl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]butanoate Openeye Name: ethyl 2-[[6-amino-5-[(5-bromofuran-2-carbonyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]butanoate CAS Name: 2-[[6-amino-5-[[(5-bromo-2-furanyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-[[6-amino-5-[(5-bromofuran-2-carbonyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]butanoate Traditional Name: 2-[[6-amino-5-[(5-bromo-2-furoyl)amino]-4-keto-1H-pyrimidin-2-yl]thio]butyric acid ethyl ester Formula: C15H17BrN4O5S MolecularWeight: 445.28828

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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=C(O2)Br

Isomeric SMILES

CCC(C(=O)OCC)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C15H17BrN4O5S/c1-3-8(14(23)24-4-2)26-15-19-11(17)10(13(22)20-15)18-12(21)7-5-6-9(16)25-7/h5-6,8H,3-4H2,1-2H3,(H,18,21)(H3,17,19,20,22)