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

Systemtic Name: 3-[[4-(6-azanyl-7H-purin-8-yl)phenyl]methylcarbamoyl]benzenesulfonyl fluoride Openeye Name: 3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylcarbamoyl]benzenesulfonyl fluoride CAS Name: 3-[[[4-(6-amino-7H-purin-8-yl)phenyl]methylamino]-oxomethyl]benzenesulfonyl fluoride IUPAC Name: 3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylcarbamoyl]benzenesulfonyl fluoride Traditional Name: 3-[[4-(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(=CC(=C1)S(=O)(=O)F)C(=O)NCC2=CC=C(C=C2)C3=NC4=C(N3)C(=NC=N4)N

Isomeric SMILES

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

InChI

InChI=1S/C19H15FN6O3S/c20-30(28,29)14-3-1-2-13(8-14)19(27)22-9-11-4-6-12(7-5-11)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)