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

Systemtic Name: sulfuric acid; 3-[[4-[4-[2,4,6-tris(azanyl)pyrimidin-5-yl]butyl]phenyl]carbamoyl]benzenesulfonyl fluoride Openeye Name: sulfuric acid; 3-[[4-[4-(2,4,6-triaminopyrimidin-5-yl)butyl]phenyl]carbamoyl]benzenesulfonyl fluoride CAS Name: 3-[oxo-[4-[4-(2,4,6-triamino-5-pyrimidinyl)butyl]anilino]methyl]benzenesulfonyl fluoride; sulfuric acid IUPAC Name: sulfuric acid; 3-[[4-[4-(2,4,6-triaminopyrimidin-5-yl)butyl]phenyl]carbamoyl]benzenesulfonyl fluoride Traditional Name: sulfuric acid; 3-[[4-[4-(2,4,6-triaminopyrimidin-5-yl)butyl]phenyl]carbamoyl]benzenesulfonyl fluoride Formula: C21H25FN6O7S2 MolecularWeight: 556.587603

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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)CCCCC3=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)CCCCC3=C(N=C(N=C3N)N)N.OS(=O)(=O)O

InChI

InChI=1S/C21H23FN6O3S.H2O4S/c22-32(30,31)16-6-3-5-14(12-16)20(29)26-15-10-8-13(9-11-15)4-1-2-7-17-18(23)27-21(25)28-19(17)24;1-5(2,3)4/h3,5-6,8-12H,1-2,4,7H2,(H,26,29)(H6,23,24,25,27,28);(H2,1,2,3,4)