4-[2-(2-azanyl-6-oxidanylidene-3H-purin-7-yl)ethylcarbamoyl]benzenesulfonyl fluoride

Systemtic Name: 4-[2-(2-azanyl-6-oxidanylidene-3H-purin-7-yl)ethylcarbamoyl]benzenesulfonyl fluoride Openeye Name: 4-[2-(2-amino-6-oxo-3H-purin-7-yl)ethylcarbamoyl]benzenesulfonyl fluoride CAS Name: 4-[[2-(2-amino-6-oxo-3H-purin-7-yl)ethylamino]-oxomethyl]benzenesulfonyl fluoride IUPAC Name: 4-[2-(2-amino-6-oxo-3H-purin-7-yl)ethylcarbamoyl]benzenesulfonyl fluoride Traditional Name: 4-[2-(2-amino-6-keto-3H-purin-7-yl)ethylcarbamoyl]benzenesulfonyl fluoride Formula: C14H13FN6O4S MolecularWeight: 380.354223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCN2C=NC3=C2C(=O)N=C(N3)N)S(=O)(=O)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCN2C=NC3=C2C(=O)N=C(N3)N)S(=O)(=O)F

InChI

InChI=1S/C14H13FN6O4S/c15-26(24,25)9-3-1-8(2-4-9)12(22)17-5-6-21-7-18-11-10(21)13(23)20-14(16)19-11/h1-4,7H,5-6H2,(H,17,22)(H3,16,19,20,23)