2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanesulfonic acid

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanesulfonic acid Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethanesulfonic acid CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethanesulfonic acid IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethanesulfonic acid Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethanesulfonic acid Formula: C9H12N4O5S MolecularWeight: 288.28038

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCS(=O)(=O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCS(=O)(=O)O

InChI

InChI=1S/C9H12N4O5S/c1-11-7-6(8(14)12(2)9(11)15)13(5-10-7)3-4-19(16,17)18/h5H,3-4H2,1-2H3,(H,16,17,18)