1-[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)propanoylamino]propane-1-sulfonic acid

Systemtic Name: 1-[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)propanoylamino]propane-1-sulfonic acid Openeye Name: 1-[3-(2-amino-6-oxo-3H-purin-9-yl)propanoylamino]propane-1-sulfonic acid CAS Name: 1-[[3-(2-amino-6-oxo-3H-purin-9-yl)-1-oxopropyl]amino]-1-propanesulfonic acid IUPAC Name: 1-[3-(2-amino-6-oxo-3H-purin-9-yl)propanoylamino]propane-1-sulfonic acid Traditional Name: 1-[3-(2-amino-6-keto-3H-purin-9-yl)propanoylamino]propane-1-sulfonic acid Formula: C11H16N6O5S MolecularWeight: 344.34694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC(=O)CCN1C=NC2=C1NC(=NC2=O)N)S(=O)(=O)O

Isomeric SMILES

CCC(NC(=O)CCN1C=NC2=C1NC(=NC2=O)N)S(=O)(=O)O

InChI

InChI=1S/C11H16N6O5S/c1-2-7(23(20,21)22)14-6(18)3-4-17-5-13-8-9(17)15-11(12)16-10(8)19/h5,7H,2-4H2,1H3,(H,14,18)(H,20,21,22)(H3,12,15,16,19)