3-[3-(6-oxidanylidene-3H-purin-9-yl)propanoylamino]propane-1-sulfonic acid

Systemtic Name: 3-[3-(6-oxidanylidene-3H-purin-9-yl)propanoylamino]propane-1-sulfonic acid Openeye Name: 3-[3-(6-oxo-3H-purin-9-yl)propanoylamino]propane-1-sulfonic acid CAS Name: 3-[[1-oxo-3-(6-oxo-3H-purin-9-yl)propyl]amino]-1-propanesulfonic acid IUPAC Name: 3-[3-(6-oxo-3H-purin-9-yl)propanoylamino]propane-1-sulfonic acid Traditional Name: 3-[3-(6-keto-3H-purin-9-yl)propanoylamino]propane-1-sulfonic acid Formula: C11H15N5O5S MolecularWeight: 329.3323

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=O)C2=C(N1)N(C=N2)CCC(=O)NCCCS(=O)(=O)O

Isomeric SMILES

C1=NC(=O)C2=C(N1)N(C=N2)CCC(=O)NCCCS(=O)(=O)O

InChI

InChI=1S/C11H15N5O5S/c17-8(12-3-1-5-22(19,20)21)2-4-16-7-15-9-10(16)13-6-14-11(9)18/h6-7H,1-5H2,(H,12,17)(H,13,14,18)(H,19,20,21)