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

Systemtic Name: 2-[2-[[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[2-(dimethylamino)-5-(dimethylsulfamoyl)anilino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[2-(dimethylamino)-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[2-(dimethylamino)-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-[2-(dimethylamino)-5-(dimethylsulfamoyl)anilino]-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C19H26N5O4S2- MolecularWeight: 452.57084

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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)N(C)C)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H27N5O4S2/c1-6-7-13-10-17(25)22-19(20-13)29-12-18(26)21-15-11-14(30(27,28)24(4)5)8-9-16(15)23(2)3/h8-11H,6-7,12H2,1-5H3,(H,21,26)(H,20,22,25)/p-1