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

Systemtic Name: 2-[2-[[5-(diethylsulfamoyl)-2-methyl-phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[5-(diethylsulfamoyl)-2-methyl-anilino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-[5-(diethylsulfamoyl)-2-methyl-anilino]-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C20H27N4O4S2- MolecularWeight: 451.58278

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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(CC)CC)C)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O4S2/c1-5-8-15-11-18(25)23-20(21-15)29-13-19(26)22-17-12-16(10-9-14(17)4)30(27,28)24(6-2)7-3/h9-12H,5-8,13H2,1-4H3,(H,22,26)(H,21,23,25)/p-1