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

Systemtic Name: 2-[2-[[4-chloranyl-3-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C17H20ClN4O4S2- MolecularWeight: 443.9481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN4O4S2/c1-4-5-11-9-15(23)21-17(20-11)27-10-16(24)19-12-6-7-13(18)14(8-12)28(25,26)22(2)3/h6-9H,4-5,10H2,1-3H3,(H,19,24)(H,20,21,23)/p-1