3-(6-aminopurin-9-yl)propane-1-sulfonic acid

Systemtic Name: 3-(6-aminopurin-9-yl)propane-1-sulfonic acid Openeye Name: 3-(6-aminopurin-9-yl)propane-1-sulfonic acid CAS Name: 3-(6-aminopurin-9-yl)-1-propanesulfonic acid IUPAC Name: 3-(6-aminopurin-9-yl)propane-1-sulfonic acid Traditional Name: 3-adenin-9-ylpropane-1-sulfonic acid Formula: C8H11N5O3S MolecularWeight: 257.26964

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2CCCS(=O)(=O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2CCCS(=O)(=O)O

InChI

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