3-(6-azanyl-9H-purin-7-ium-7-yl)propane-1-sulfonic acid

Systemtic Name: 3-(6-azanyl-9H-purin-7-ium-7-yl)propane-1-sulfonic acid Openeye Name: 3-(6-amino-9H-purin-7-ium-7-yl)propane-1-sulfonic acid CAS Name: 3-(6-amino-9H-purin-7-ium-7-yl)-1-propanesulfonic acid IUPAC Name: 3-(6-amino-9H-purin-7-ium-7-yl)propane-1-sulfonic acid Traditional Name: 3-(6-amino-9H-purin-7-ium-7-yl)propane-1-sulfonic acid Formula: C8H12N5O3S+ MolecularWeight: 258.27758

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Descriptors Computed from Structure

Canonical SMILES:

C1=[N+](C2=C(N1)N=CN=C2N)CCCS(=O)(=O)O

Isomeric SMILES

C1=[N+](C2=C(N1)N=CN=C2N)CCCS(=O)(=O)O

InChI

InChI=1S/C8H11N5O3S/c9-7-6-8(11-4-10-7)12-5-13(6)2-1-3-17(14,15)16/h4-5H,1-3H2,(H3,9,10,11,14,15,16)/p+1