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

Systemtic Name: 2-[2-[(5-ethyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzamide Openeye Name: 2-[2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzamide CAS Name: 2-[[2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]-1-oxopropyl]amino]benzamide IUPAC Name: 2-[2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzamide Traditional Name: 2-[2-[(5-ethyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]propanoylamino]benzamide Formula: C16H18N4O4S MolecularWeight: 362.40352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(NC1=O)SC(C)C(=O)NC2=CC=CC=C2C(=O)N)O

Isomeric SMILES

CCC1=C(N=C(NC1=O)SC(C)C(=O)NC2=CC=CC=C2C(=O)N)O

InChI

InChI=1S/C16H18N4O4S/c1-3-9-14(23)19-16(20-15(9)24)25-8(2)13(22)18-11-7-5-4-6-10(11)12(17)21/h4-8H,3H2,1-2H3,(H2,17,21)(H,18,22)(H2,19,20,23,24)