5-[[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)phenyl]carbamoylamino]-2-methyl-benzenesulfonyl fluoride

Systemtic Name: 5-[[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)phenyl]carbamoylamino]-2-methyl-benzenesulfonyl fluoride Openeye Name: 5-[[3-(2-amino-6-oxo-3H-purin-9-yl)phenyl]carbamoylamino]-2-methyl-benzenesulfonyl fluoride CAS Name: 5-[[[3-(2-amino-6-oxo-3H-purin-9-yl)anilino]-oxomethyl]amino]-2-methylbenzenesulfonyl fluoride IUPAC Name: 5-[[3-(2-amino-6-oxo-3H-purin-9-yl)phenyl]carbamoylamino]-2-methylbenzenesulfonyl fluoride Traditional Name: 5-[[3-(2-amino-6-keto-3H-purin-9-yl)phenyl]carbamoylamino]-2-methyl-benzenesulfonyl fluoride Formula: C19H16FN7O4S MolecularWeight: 457.438243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC2=CC=CC(=C2)N3C=NC4=C3NC(=NC4=O)N)S(=O)(=O)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2=CC=CC(=C2)N3C=NC4=C3NC(=NC4=O)N)S(=O)(=O)F

InChI

InChI=1S/C19H16FN7O4S/c1-10-5-6-12(8-14(10)32(20,30)31)24-19(29)23-11-3-2-4-13(7-11)27-9-22-15-16(27)25-18(21)26-17(15)28/h2-9H,1H3,(H2,23,24,29)(H3,21,25,26,28)