2-methoxy-5-methyl-N-purin-9-id-6-yl-benzenesulfonamide

Systemtic Name: 2-methoxy-5-methyl-N-purin-9-id-6-yl-benzenesulfonamide Openeye Name: 2-methoxy-5-methyl-N-purin-9-id-6-yl-benzenesulfonamide CAS Name: 2-methoxy-5-methyl-N-(6-purin-9-idyl)benzenesulfonamide IUPAC Name: 2-methoxy-5-methyl-N-purin-9-id-6-ylbenzenesulfonamide Traditional Name: 2-methoxy-5-methyl-N-purin-9-id-6-yl-benzenesulfonamide Formula: C13H12N5O3S- MolecularWeight: 318.33108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=NC=NC3=C2N=C[N-]3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=NC=NC3=C2N=C[N-]3

InChI

InChI=1S/C13H12N5O3S/c1-8-3-4-9(21-2)10(5-8)22(19,20)18-13-11-12(15-6-14-11)16-7-17-13/h3-7H,1-2H3,(H-,14,15,16,17,18)/q-1