ethyl 2-[[5-benzamido-4-oxidanylidene-6-(propanoylamino)-1H-pyrimidin-2-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-benzamido-4-oxidanylidene-6-(propanoylamino)-1H-pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-benzamido-4-oxo-6-(propanoylamino)-1H-pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[5-benzamido-4-oxo-6-(1-oxopropylamino)-1H-pyrimidin-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-benzamido-4-oxo-6-(propanoylamino)-1H-pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[(5-benzamido-4-keto-6-propionamido-1H-pyrimidin-2-yl)thio]acetic acid ethyl ester Formula: C18H20N4O5S MolecularWeight: 404.4402

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=O)N=C(N1)SCC(=O)OCC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCC(=O)NC1=C(C(=O)N=C(N1)SCC(=O)OCC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H20N4O5S/c1-3-12(23)19-15-14(20-16(25)11-8-6-5-7-9-11)17(26)22-18(21-15)28-10-13(24)27-4-2/h5-9H,3-4,10H2,1-2H3,(H,20,25)(H2,19,21,22,23,26)