4-[3-oxidanylidene-3-[[3-(6-oxidanylidene-5,9-dihydropurin-8-yl)phenyl]amino]propyl]benzenesulfonyl fluoride

Systemtic Name: 4-[3-oxidanylidene-3-[[3-(6-oxidanylidene-5,9-dihydropurin-8-yl)phenyl]amino]propyl]benzenesulfonyl fluoride Openeye Name: 4-[3-oxo-3-[3-(6-oxo-5,9-dihydropurin-8-yl)anilino]propyl]benzenesulfonyl fluoride CAS Name: 4-[3-oxo-3-[3-(6-oxo-5,9-dihydropurin-8-yl)anilino]propyl]benzenesulfonyl fluoride IUPAC Name: 4-[3-oxo-3-[3-(6-oxo-5,9-dihydropurin-8-yl)anilino]propyl]benzenesulfonyl fluoride Traditional Name: 4-[3-keto-3-[3-(6-keto-5,9-dihydropurin-8-yl)anilino]propyl]benzenesulfonyl fluoride Formula: C20H16FN5O4S MolecularWeight: 441.435543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)F)C3=NC4C(=NC=NC4=O)N3

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)F)C3=NC4C(=NC=NC4=O)N3

InChI

InChI=1S/C20H16FN5O4S/c21-31(29,30)15-7-4-12(5-8-15)6-9-16(27)24-14-3-1-2-13(10-14)18-25-17-19(26-18)22-11-23-20(17)28/h1-5,7-8,10-11,17H,6,9H2,(H,24,27)(H,22,23,25,26,28)