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

Systemtic Name: 4-[[4-(6-azanyl-7H-purin-8-yl)phenyl]methylcarbamoyl]benzenesulfonyl fluoride Openeye Name: 4-[[4-(6-amino-7H-purin-8-yl)phenyl]methylcarbamoyl]benzenesulfonyl fluoride CAS Name: 4-[[[4-(6-amino-7H-purin-8-yl)phenyl]methylamino]-oxomethyl]benzenesulfonyl fluoride IUPAC Name: 4-[[4-(6-amino-7H-purin-8-yl)phenyl]methylcarbamoyl]benzenesulfonyl fluoride Traditional Name: 4-[[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=C1CNC(=O)C2=CC=C(C=C2)S(=O)(=O)F)C3=NC4=C(N3)C(=NC=N4)N

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=CC=C(C=C2)S(=O)(=O)F)C3=NC4=C(N3)C(=NC=N4)N

InChI

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