2,4,5-trimethyl-N-purin-9-id-6-yl-benzenesulfonamide

Systemtic Name: 2,4,5-trimethyl-N-purin-9-id-6-yl-benzenesulfonamide Openeye Name: 2,4,5-trimethyl-N-purin-9-id-6-yl-benzenesulfonamide CAS Name: 2,4,5-trimethyl-N-(6-purin-9-idyl)benzenesulfonamide IUPAC Name: 2,4,5-trimethyl-N-purin-9-id-6-ylbenzenesulfonamide Traditional Name: 2,4,5-trimethyl-N-purin-9-id-6-yl-benzenesulfonamide Formula: C14H14N5O2S- MolecularWeight: 316.35826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)NC2=NC=NC3=C2N=C[N-]3)C

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)NC2=NC=NC3=C2N=C[N-]3)C

InChI

InChI=1S/C14H14N5O2S/c1-8-4-10(3)11(5-9(8)2)22(20,21)19-14-12-13(16-6-15-12)17-7-18-14/h4-7H,1-3H3,(H-,15,16,17,18,19)/q-1