5-[[3-(6-azanyl-7H-purin-8-yl)phenyl]carbamoyl]-2-chloranyl-benzenesulfonyl fluoride

Systemtic Name: 5-[[3-(6-azanyl-7H-purin-8-yl)phenyl]carbamoyl]-2-chloranyl-benzenesulfonyl fluoride Openeye Name: 5-[[3-(6-amino-7H-purin-8-yl)phenyl]carbamoyl]-2-chloro-benzenesulfonyl fluoride CAS Name: 5-[[3-(6-amino-7H-purin-8-yl)anilino]-oxomethyl]-2-chlorobenzenesulfonyl fluoride IUPAC Name: 5-[[3-(6-amino-7H-purin-8-yl)phenyl]carbamoyl]-2-chlorobenzenesulfonyl fluoride Traditional Name: 5-[[3-(6-amino-7H-purin-8-yl)phenyl]carbamoyl]-2-chloro-benzenesulfonyl fluoride Formula: C18H12ClFN6O3S MolecularWeight: 446.842683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClFN6O3S/c19-12-5-4-10(7-13(12)30(20,28)29)18(27)24-11-3-1-2-9(6-11)16-25-14-15(21)22-8-23-17(14)26-16/h1-8H,(H,24,27)(H3,21,22,23,25,26)