3-(2-azanyl-6-oxidanylidene-3H-purin-7-yl)propane-1-sulfonic acid

Systemtic Name: 3-(2-azanyl-6-oxidanylidene-3H-purin-7-yl)propane-1-sulfonic acid Openeye Name: 3-(2-amino-6-oxo-3H-purin-7-yl)propane-1-sulfonic acid CAS Name: 3-(2-amino-6-oxo-3H-purin-7-yl)-1-propanesulfonic acid IUPAC Name: 3-(2-amino-6-oxo-3H-purin-7-yl)propane-1-sulfonic acid Traditional Name: 3-(2-amino-6-keto-3H-purin-7-yl)propane-1-sulfonic acid Formula: C8H11N5O4S MolecularWeight: 273.26904

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCCS(=O)(=O)O)C(=O)N=C(N2)N

Isomeric SMILES

C1=NC2=C(N1CCCS(=O)(=O)O)C(=O)N=C(N2)N

InChI

InChI=1S/C8H11N5O4S/c9-8-11-6-5(7(14)12-8)13(4-10-6)2-1-3-18(15,16)17/h4H,1-3H2,(H,15,16,17)(H3,9,11,12,14)