4-[[3-(6-azanyl-7H-purin-8-yl)phenyl]carbamoylamino]benzenesulfonyl fluoride

Systemtic Name: 4-[[3-(6-azanyl-7H-purin-8-yl)phenyl]carbamoylamino]benzenesulfonyl fluoride Openeye Name: 4-[[3-(6-amino-7H-purin-8-yl)phenyl]carbamoylamino]benzenesulfonyl fluoride CAS Name: 4-[[[3-(6-amino-7H-purin-8-yl)anilino]-oxomethyl]amino]benzenesulfonyl fluoride IUPAC Name: 4-[[3-(6-amino-7H-purin-8-yl)phenyl]carbamoylamino]benzenesulfonyl fluoride Traditional Name: 4-[[3-(6-amino-7H-purin-8-yl)phenyl]carbamoylamino]benzenesulfonyl fluoride Formula: C18H14FN7O3S MolecularWeight: 427.412263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)F)C3=NC4=C(N3)C(=NC=N4)N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)F)C3=NC4=C(N3)C(=NC=N4)N

InChI

InChI=1S/C18H14FN7O3S/c19-30(28,29)13-6-4-11(5-7-13)23-18(27)24-12-3-1-2-10(8-12)16-25-14-15(20)21-9-22-17(14)26-16/h1-9H,(H2,23,24,27)(H3,20,21,22,25,26)