sodium 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propane-1-sulfonate

Systemtic Name: sodium 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propane-1-sulfonate Openeye Name: sodium 3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propane-1-sulfonate CAS Name: sodium 3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-propanesulfonate IUPAC Name: sodium 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propane-1-sulfonate Traditional Name: sodium 3-(2,6-diketo-1,3-dimethyl-purin-7-yl)propane-1-sulfonate Formula: C10H13N4NaO5S MolecularWeight: 324.28879

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C10H14N4O5S.Na/c1-12-8-7(9(15)13(2)10(12)16)14(6-11-8)4-3-5-20(17,18)19;/h6H,3-5H2,1-2H3,(H,17,18,19);/q;+1/p-1