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

Systemtic Name: 3-[[4-(6-azanyl-7H-purin-8-yl)phenyl]carbamoyl]benzenesulfonyl fluoride Openeye Name: 3-[[4-(6-amino-7H-purin-8-yl)phenyl]carbamoyl]benzenesulfonyl fluoride CAS Name: 3-[[4-(6-amino-7H-purin-8-yl)anilino]-oxomethyl]benzenesulfonyl fluoride IUPAC Name: 3-[[4-(6-amino-7H-purin-8-yl)phenyl]carbamoyl]benzenesulfonyl fluoride Traditional Name: 3-[[4-(6-amino-7H-purin-8-yl)phenyl]carbamoyl]benzenesulfonyl fluoride Formula: C18H13FN6O3S MolecularWeight: 412.397623

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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)C3=NC4=C(N3)C(=NC=N4)N

Isomeric SMILES

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

InChI

InChI=1S/C18H13FN6O3S/c19-29(27,28)13-3-1-2-11(8-13)18(26)23-12-6-4-10(5-7-12)16-24-14-15(20)21-9-22-17(14)25-16/h1-9H,(H,23,26)(H3,20,21,22,24,25)