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

Systemtic Name: (2R)-2-[[5-benzamido-4-oxidanylidene-6-(propanoylamino)-1H-pyrimidin-2-yl]sulfanyl]butanoate Openeye Name: (2R)-2-[[5-benzamido-4-oxo-6-(propanoylamino)-1H-pyrimidin-2-yl]sulfanyl]butanoate CAS Name: (2R)-2-[[5-benzamido-4-oxo-6-(1-oxopropylamino)-1H-pyrimidin-2-yl]thio]butanoate IUPAC Name: (2R)-2-[[5-benzamido-4-oxo-6-(propanoylamino)-1H-pyrimidin-2-yl]sulfanyl]butanoate Traditional Name: (2R)-2-[(5-benzamido-4-keto-6-propionamido-1H-pyrimidin-2-yl)thio]butyrate Formula: C18H19N4O5S- MolecularWeight: 403.43226

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])SC1=NC(=O)C(=C(N1)NC(=O)CC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](C(=O)[O-])SC1=NC(=O)C(=C(N1)NC(=O)CC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H20N4O5S/c1-3-11(17(26)27)28-18-21-14(19-12(23)4-2)13(16(25)22-18)20-15(24)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3,(H,20,24)(H,26,27)(H2,19,21,22,23,25)/p-1/t11-/m1/s1