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

Systemtic Name: sulfuric acid; 3-[[[4-[3-[2,4,6-tris(azanyl)pyrimidin-5-yl]propoxy]phenyl]amino]methyl]benzenesulfonyl fluoride Openeye Name: sulfuric acid; 3-[[4-[3-(2,4,6-triaminopyrimidin-5-yl)propoxy]anilino]methyl]benzenesulfonyl fluoride CAS Name: sulfuric acid; 3-[[4-[3-(2,4,6-triamino-5-pyrimidinyl)propoxy]anilino]methyl]benzenesulfonyl fluoride IUPAC Name: sulfuric acid; 3-[[4-[3-(2,4,6-triaminopyrimidin-5-yl)propoxy]anilino]methyl]benzenesulfonyl fluoride Traditional Name: sulfuric acid; 3-[[4-[3-(2,4,6-triaminopyrimidin-5-yl)propoxy]anilino]methyl]benzenesulfonyl fluoride Formula: C20H25FN6O7S2 MolecularWeight: 544.576903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)F)CNC2=CC=C(C=C2)OCCCC3=C(N=C(N=C3N)N)N.OS(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)F)CNC2=CC=C(C=C2)OCCCC3=C(N=C(N=C3N)N)N.OS(=O)(=O)O

InChI

InChI=1S/C20H23FN6O3S.H2O4S/c21-31(28,29)16-4-1-3-13(11-16)12-25-14-6-8-15(9-7-14)30-10-2-5-17-18(22)26-20(24)27-19(17)23;1-5(2,3)4/h1,3-4,6-9,11,25H,2,5,10,12H2,(H6,22,23,24,26,27);(H2,1,2,3,4)