2-[2-[[4-oxidanyl-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]propanoylamino]benzamide

Systemtic Name: 2-[2-[[4-oxidanyl-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]propanoylamino]benzamide Openeye Name: 2-[2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzamide CAS Name: 2-[[2-[[4-hydroxy-6-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]-1-oxopropyl]amino]benzamide IUPAC Name: 2-[2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzamide Traditional Name: 2-[2-[(5-benzyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]propanoylamino]benzamide Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)N)SC2=NC(=C(C(=O)N2)CC3=CC=CC=C3)O

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(=O)N)SC2=NC(=C(C(=O)N2)CC3=CC=CC=C3)O

InChI

InChI=1S/C21H20N4O4S/c1-12(18(27)23-16-10-6-5-9-14(16)17(22)26)30-21-24-19(28)15(20(29)25-21)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H2,22,26)(H,23,27)(H2,24,25,28,29)