4-[2-(6-oxidanylidene-7H-purin-1-yl)ethylcarbamoyl]benzenesulfonyl fluoride

Systemtic Name: 4-[2-(6-oxidanylidene-7H-purin-1-yl)ethylcarbamoyl]benzenesulfonyl fluoride Openeye Name: 4-[2-(6-oxo-7H-purin-1-yl)ethylcarbamoyl]benzenesulfonyl fluoride CAS Name: 4-[oxo-[2-(6-oxo-7H-purin-1-yl)ethylamino]methyl]benzenesulfonyl fluoride IUPAC Name: 4-[2-(6-oxo-7H-purin-1-yl)ethylcarbamoyl]benzenesulfonyl fluoride Traditional Name: 4-[2-(6-keto-7H-purin-1-yl)ethylcarbamoyl]benzenesulfonyl fluoride Formula: C14H12FN5O4S MolecularWeight: 365.339583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCN2C=NC3=C(C2=O)NC=N3)S(=O)(=O)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCN2C=NC3=C(C2=O)NC=N3)S(=O)(=O)F

InChI

InChI=1S/C14H12FN5O4S/c15-25(23,24)10-3-1-9(2-4-10)13(21)16-5-6-20-8-19-12-11(14(20)22)17-7-18-12/h1-4,7-8H,5-6H2,(H,16,21)(H,17,18)