sulfuric acid; 3-[[4-[3-[2,4,6-tris(azanyl)pyrimidin-5-yl]propylsulfanyl]phenyl]carbamoyl]benzenesulfonyl fluoride

Systemtic Name: sulfuric acid; 3-[[4-[3-[2,4,6-tris(azanyl)pyrimidin-5-yl]propylsulfanyl]phenyl]carbamoyl]benzenesulfonyl fluoride Openeye Name: sulfuric acid; 3-[[4-[3-(2,4,6-triaminopyrimidin-5-yl)propylsulfanyl]phenyl]carbamoyl]benzenesulfonyl fluoride CAS Name: 3-[oxo-[4-[3-(2,4,6-triamino-5-pyrimidinyl)propylthio]anilino]methyl]benzenesulfonyl fluoride; sulfuric acid IUPAC Name: sulfuric acid; 3-[[4-[3-(2,4,6-triaminopyrimidin-5-yl)propylsulfanyl]phenyl]carbamoyl]benzenesulfonyl fluoride Traditional Name: sulfuric acid; 3-[[4-[3-(2,4,6-triaminopyrimidin-5-yl)propylthio]phenyl]carbamoyl]benzenesulfonyl fluoride Formula: C20H23FN6O7S3 MolecularWeight: 574.626023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)F)C(=O)NC2=CC=C(C=C2)SCCCC3=C(N=C(N=C3N)N)N.OS(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)F)C(=O)NC2=CC=C(C=C2)SCCCC3=C(N=C(N=C3N)N)N.OS(=O)(=O)O

InChI

InChI=1S/C20H21FN6O3S2.H2O4S/c21-32(29,30)15-4-1-3-12(11-15)19(28)25-13-6-8-14(9-7-13)31-10-2-5-16-17(22)26-20(24)27-18(16)23;1-5(2,3)4/h1,3-4,6-9,11H,2,5,10H2,(H,25,28)(H6,22,23,24,26,27);(H2,1,2,3,4)