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

Systemtic Name: methyl 2-[[5-benzamido-4-oxidanylidene-6-(propanoylamino)-1H-pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H18N4O5S MolecularWeight: 390.41362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O5S/c1-3-11(22)18-14-13(19-15(24)10-7-5-4-6-8-10)16(25)21-17(20-14)27-9-12(23)26-2/h4-8H,3,9H2,1-2H3,(H,19,24)(H2,18,20,21,22,25)