2-[2-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[5-(dimethylsulfamoyl)-2-methyl-anilino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-[5-(dimethylsulfamoyl)-2-methyl-anilino]-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C18H23N4O4S2- MolecularWeight: 423.52962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O4S2/c1-5-6-13-9-16(23)21-18(19-13)27-11-17(24)20-15-10-14(8-7-12(15)2)28(25,26)22(3)4/h7-10H,5-6,11H2,1-4H3,(H,20,24)(H,19,21,23)/p-1