2-[2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-oxo-2-(3-sulfamoylanilino)ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-oxo-2-(3-sulfamoylanilino)ethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-oxo-2-(3-sulfamoylanilino)ethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(3-sulfamoylanilino)ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C15H17N4O4S2- MolecularWeight: 381.44988

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N)[O-]

InChI

InChI=1S/C15H18N4O4S2/c1-2-4-10-8-13(20)19-15(18-10)24-9-14(21)17-11-5-3-6-12(7-11)25(16,22)23/h3,5-8H,2,4,9H2,1H3,(H,17,21)(H2,16,22,23)(H,18,19,20)/p-1