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

Systemtic Name: 4-methyl-3-(6-oxidanylidene-3H-purin-9-yl)pentane-1-sulfonic acid Openeye Name: 4-methyl-3-(6-oxo-3H-purin-9-yl)pentane-1-sulfonic acid CAS Name: 4-methyl-3-(6-oxo-3H-purin-9-yl)-1-pentanesulfonic acid IUPAC Name: 4-methyl-3-(6-oxo-3H-purin-9-yl)pentane-1-sulfonic acid Traditional Name: 3-(6-keto-3H-purin-9-yl)-4-methyl-pentane-1-sulfonic acid Formula: C11H16N4O4S MolecularWeight: 300.33414

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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)