3-[[3-(2-azanyl-6-oxidanylidene-3H-purin-7-yl)-2-oxidanyl-propyl]carbamoyl]benzenesulfonyl fluoride

Systemtic Name: 3-[[3-(2-azanyl-6-oxidanylidene-3H-purin-7-yl)-2-oxidanyl-propyl]carbamoyl]benzenesulfonyl fluoride Openeye Name: 3-[[3-(2-amino-6-oxo-3H-purin-7-yl)-2-hydroxy-propyl]carbamoyl]benzenesulfonyl fluoride CAS Name: 3-[[[3-(2-amino-6-oxo-3H-purin-7-yl)-2-hydroxypropyl]amino]-oxomethyl]benzenesulfonyl fluoride IUPAC Name: 3-[[3-(2-amino-6-oxo-3H-purin-7-yl)-2-hydroxypropyl]carbamoyl]benzenesulfonyl fluoride Traditional Name: 3-[[3-(2-amino-6-keto-3H-purin-7-yl)-2-hydroxy-propyl]carbamoyl]benzenesulfonyl fluoride Formula: C15H15FN6O5S MolecularWeight: 410.380203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)F)C(=O)NCC(CN2C=NC3=C2C(=O)N=C(N3)N)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)F)C(=O)NCC(CN2C=NC3=C2C(=O)N=C(N3)N)O

InChI

InChI=1S/C15H15FN6O5S/c16-28(26,27)10-3-1-2-8(4-10)13(24)18-5-9(23)6-22-7-19-12-11(22)14(25)21-15(17)20-12/h1-4,7,9,23H,5-6H2,(H,18,24)(H3,17,20,21,25)