3-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide

Systemtic Name: 3-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide Openeye Name: 3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide CAS Name: 3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]-N-[4-(2-pyrimidinylsulfamoyl)phenyl]propanamide IUPAC Name: 3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide Traditional Name: 3-[(4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]-N-[4-(2-pyrimidylsulfamoyl)phenyl]propionamide Formula: C17H16N6O5S2 MolecularWeight: 448.47614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCSC3=NC(=CC(=O)N3)O

Isomeric SMILES

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCSC3=NC(=CC(=O)N3)O

InChI

InChI=1S/C17H16N6O5S2/c24-13(6-9-29-17-21-14(25)10-15(26)22-17)20-11-2-4-12(5-3-11)30(27,28)23-16-18-7-1-8-19-16/h1-5,7-8,10H,6,9H2,(H,20,24)(H,18,19,23)(H2,21,22,25,26)