sodium (2R)-2-(7H-purin-6-ylamino)-3-sulfo-propanoate

Systemtic Name: sodium (2R)-2-(7H-purin-6-ylamino)-3-sulfo-propanoate Openeye Name: sodium (2R)-2-(7H-purin-6-ylamino)-3-sulfo-propanoate CAS Name: sodium (2R)-2-(7H-purin-6-ylamino)-3-sulfopropanoate IUPAC Name: sodium (2R)-2-(7H-purin-6-ylamino)-3-sulfopropanoate Traditional Name: sodium (2R)-2-(7H-purin-6-ylamino)-3-sulfo-propionate Formula: C8H8N5NaO5S MolecularWeight: 309.23439

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC=N2)NC(CS(=O)(=O)O)C(=O)[O-].[Na+]

Isomeric SMILES

C1=NC2=C(N1)C(=NC=N2)N[C@@H](CS(=O)(=O)O)C(=O)[O-].[Na+]

InChI

InChI=1S/C8H9N5O5S.Na/c14-8(15)4(1-19(16,17)18)13-7-5-6(10-2-9-5)11-3-12-7;/h2-4H,1H2,(H,14,15)(H,16,17,18)(H2,9,10,11,12,13);/q;+1/p-1/t4-;/m0./s1