4-[(7H-purin-6-ylamino)methyl]benzenesulfonamide

Systemtic Name: 4-[(7H-purin-6-ylamino)methyl]benzenesulfonamide Openeye Name: 4-[(7H-purin-6-ylamino)methyl]benzenesulfonamide CAS Name: 4-[(7H-purin-6-ylamino)methyl]benzenesulfonamide IUPAC Name: 4-[(7H-purin-6-ylamino)methyl]benzenesulfonamide Traditional Name: 4-[(7H-purin-6-ylamino)methyl]benzenesulfonamide Formula: C12H12N6O2S MolecularWeight: 304.32768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NC=NC3=C2NC=N3)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CNC2=NC=NC3=C2NC=N3)S(=O)(=O)N

InChI

InChI=1S/C12H12N6O2S/c13-21(19,20)9-3-1-8(2-4-9)5-14-11-10-12(16-6-15-10)18-7-17-11/h1-4,6-7H,5H2,(H2,13,19,20)(H2,14,15,16,17,18)