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

Systemtic Name: 2-[[3-(6-azanyl-7H-purin-8-yl)phenyl]methylcarbamoyl]benzenesulfonyl fluoride Openeye Name: 2-[[3-(6-amino-7H-purin-8-yl)phenyl]methylcarbamoyl]benzenesulfonyl fluoride CAS Name: 2-[[[3-(6-amino-7H-purin-8-yl)phenyl]methylamino]-oxomethyl]benzenesulfonyl fluoride IUPAC Name: 2-[[3-(6-amino-7H-purin-8-yl)phenyl]methylcarbamoyl]benzenesulfonyl fluoride Traditional Name: 2-[[3-(6-amino-7H-purin-8-yl)benzyl]carbamoyl]benzenesulfonyl fluoride Formula: C19H15FN6O3S MolecularWeight: 426.424203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCC2=CC=CC(=C2)C3=NC4=C(N3)C(=NC=N4)N)S(=O)(=O)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCC2=CC=CC(=C2)C3=NC4=C(N3)C(=NC=N4)N)S(=O)(=O)F

InChI

InChI=1S/C19H15FN6O3S/c20-30(28,29)14-7-2-1-6-13(14)19(27)22-9-11-4-3-5-12(8-11)17-25-15-16(21)23-10-24-18(15)26-17/h1-8,10H,9H2,(H,22,27)(H3,21,23,24,25,26)