4-[3-[[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)phenyl]amino]-3-oxidanylidene-propyl]benzenesulfonyl fluoride

Systemtic Name: 4-[3-[[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)phenyl]amino]-3-oxidanylidene-propyl]benzenesulfonyl fluoride Openeye Name: 4-[3-[3-(2-amino-6-oxo-3H-purin-9-yl)anilino]-3-oxo-propyl]benzenesulfonyl fluoride CAS Name: 4-[3-[3-(2-amino-6-oxo-3H-purin-9-yl)anilino]-3-oxopropyl]benzenesulfonyl fluoride IUPAC Name: 4-[3-[3-(2-amino-6-oxo-3H-purin-9-yl)anilino]-3-oxopropyl]benzenesulfonyl fluoride Traditional Name: 4-[3-[3-(2-amino-6-keto-3H-purin-9-yl)anilino]-3-keto-propyl]benzenesulfonyl fluoride Formula: C20H17FN6O4S MolecularWeight: 456.450183

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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)N3C=NC4=C3NC(=NC4=O)N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)F)N3C=NC4=C3NC(=NC4=O)N

InChI

InChI=1S/C20H17FN6O4S/c21-32(30,31)15-7-4-12(5-8-15)6-9-16(28)24-13-2-1-3-14(10-13)27-11-23-17-18(27)25-20(22)26-19(17)29/h1-5,7-8,10-11H,6,9H2,(H,24,28)(H3,22,25,26,29)