2-(5H-purin-6-ylamino)-3-sulfo-propanoic acid

Systemtic Name: 2-(5H-purin-6-ylamino)-3-sulfo-propanoic acid Openeye Name: 2-(5H-purin-6-ylamino)-3-sulfo-propanoic acid CAS Name: 2-(5H-purin-6-ylamino)-3-sulfopropanoic acid IUPAC Name: 2-(5H-purin-6-ylamino)-3-sulfopropanoic acid Traditional Name: 2-(5H-purin-6-ylamino)-3-sulfo-propionic acid Formula: C8H9N5O5S MolecularWeight: 287.25256

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2C(=N1)N=CN=C2NC(CS(=O)(=O)O)C(=O)O

Isomeric SMILES

C1=NC2C(=N1)N=CN=C2NC(CS(=O)(=O)O)C(=O)O

InChI

InChI=1S/C8H9N5O5S/c14-8(15)4(1-19(16,17)18)13-7-5-6(10-2-9-5)11-3-12-7/h2-5H,1H2,(H,14,15)(H,16,17,18)(H,9,10,11,12,13)