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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCC(=O)NCCCS(=O)(=O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1CCC(=O)NCCCS(=O)(=O)O)NC(=NC2=O)N

InChI

InChI=1S/C11H16N6O5S/c12-11-15-9-8(10(19)16-11)14-6-17(9)4-2-7(18)13-3-1-5-23(20,21)22/h6H,1-5H2,(H,13,18)(H,20,21,22)(H3,12,15,16,19)