2-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide

Systemtic Name: 2-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide Openeye Name: 2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide CAS Name: 2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]-N-[4-(2-pyrimidinylsulfamoyl)phenyl]butanamide IUPAC Name: 2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide Traditional Name: 2-[(4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]-N-[4-(2-pyrimidylsulfamoyl)phenyl]butyramide Formula: C18H18N6O5S2 MolecularWeight: 462.50272

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)SC3=NC(=CC(=O)N3)O

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)SC3=NC(=CC(=O)N3)O

InChI

InChI=1S/C18H18N6O5S2/c1-2-13(30-18-22-14(25)10-15(26)23-18)16(27)21-11-4-6-12(7-5-11)31(28,29)24-17-19-8-3-9-20-17/h3-10,13H,2H2,1H3,(H,21,27)(H,19,20,24)(H2,22,23,25,26)