4-[2,6-bis(oxidanylidene)purin-8-yl]-3-methoxy-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 4-[2,6-bis(oxidanylidene)purin-8-yl]-3-methoxy-N,N-dimethyl-benzenesulfonamide Openeye Name: 4-(2,6-dioxopurin-8-yl)-3-methoxy-N,N-dimethyl-benzenesulfonamide CAS Name: 4-(2,6-dioxo-8-purinyl)-3-methoxy-N,N-dimethylbenzenesulfonamide IUPAC Name: 4-(2,6-dioxopurin-8-yl)-3-methoxy-N,N-dimethylbenzenesulfonamide Traditional Name: 4-(2,6-diketopurin-8-yl)-3-methoxy-N,N-dimethyl-benzenesulfonamide Formula: C14H13N5O5S MolecularWeight: 363.34852

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)C2=NC3=NC(=O)NC(=O)C3=N2)OC

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)C2=NC3=NC(=O)NC(=O)C3=N2)OC

InChI

InChI=1S/C14H13N5O5S/c1-19(2)25(22,23)7-4-5-8(9(6-7)24-3)11-15-10-12(16-11)17-14(21)18-13(10)20/h4-6H,1-3H3,(H,18,20,21)