2-(6-aminopurin-9-yl)ethanesulfonate

Systemtic Name: 2-(6-aminopurin-9-yl)ethanesulfonate Openeye Name: 2-(6-aminopurin-9-yl)ethanesulfonate CAS Name: 2-(6-aminopurin-9-yl)ethanesulfonate IUPAC Name: 2-(6-aminopurin-9-yl)ethanesulfonate Traditional Name: 2-adenin-9-ylethanesulfonate Formula: C7H8N5O3S- MolecularWeight: 242.23512

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2CCS(=O)(=O)[O-]

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2CCS(=O)(=O)[O-]

InChI

InChI=1S/C7H9N5O3S/c8-6-5-7(10-3-9-6)12(4-11-5)1-2-16(13,14)15/h3-4H,1-2H2,(H2,8,9,10)(H,13,14,15)/p-1