3-(6-aminopurin-9-yl)propane-1-sulfonate

Systemtic Name: 3-(6-aminopurin-9-yl)propane-1-sulfonate Openeye Name: 3-(6-aminopurin-9-yl)propane-1-sulfonate CAS Name: 3-(6-aminopurin-9-yl)-1-propanesulfonate IUPAC Name: 3-(6-aminopurin-9-yl)propane-1-sulfonate Traditional Name: 3-adenin-9-ylpropane-1-sulfonate Formula: C8H10N5O3S- MolecularWeight: 256.2617

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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)/p-1