N-[9-(2-hydroxyethyl)-2-oxidanylidene-1H-purin-6-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[9-(2-hydroxyethyl)-2-oxidanylidene-1H-purin-6-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[9-(2-hydroxyethyl)-2-oxo-1H-purin-6-yl]-4-methyl-benzenesulfonamide CAS Name: N-[9-(2-hydroxyethyl)-2-oxo-1H-purin-6-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[9-(2-hydroxyethyl)-2-oxo-1H-purin-6-yl]-4-methylbenzenesulfonamide Traditional Name: N-[9-(2-hydroxyethyl)-2-keto-1H-purin-6-yl]-4-methyl-benzenesulfonamide Formula: C14H15N5O4S MolecularWeight: 349.365

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=NC(=O)N2)N(C=N3)CCO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=NC(=O)N2)N(C=N3)CCO

InChI

InChI=1S/C14H15N5O4S/c1-9-2-4-10(5-3-9)24(22,23)18-12-11-13(17-14(21)16-12)19(6-7-20)8-15-11/h2-5,8,20H,6-7H2,1H3,(H2,16,17,18,21)