4-methyl-3-(6-oxidanylidene-3H-purin-9-yl)pentane-1-sulfonate

Systemtic Name: 4-methyl-3-(6-oxidanylidene-3H-purin-9-yl)pentane-1-sulfonate Openeye Name: 4-methyl-3-(6-oxo-3H-purin-9-yl)pentane-1-sulfonate CAS Name: 4-methyl-3-(6-oxo-3H-purin-9-yl)-1-pentanesulfonate IUPAC Name: 4-methyl-3-(6-oxo-3H-purin-9-yl)pentane-1-sulfonate Traditional Name: 3-(6-keto-3H-purin-9-yl)-4-methyl-pentane-1-sulfonate Formula: C11H15N4O4S- MolecularWeight: 299.3262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCS(=O)(=O)[O-])N1C=NC2=C1NC=NC2=O

Isomeric SMILES

CC(C)C(CCS(=O)(=O)[O-])N1C=NC2=C1NC=NC2=O

InChI

InChI=1S/C11H16N4O4S/c1-7(2)8(3-4-20(17,18)19)15-6-14-9-10(15)12-5-13-11(9)16/h5-8H,3-4H2,1-2H3,(H,12,13,16)(H,17,18,19)/p-1