sodium 1-ethyl-3-(2-methylpropyl)purin-7-ide-2,6-dione

Systemtic Name: sodium 1-ethyl-3-(2-methylpropyl)purin-7-ide-2,6-dione Openeye Name: sodium 1-ethyl-3-isobutyl-purin-7-ide-2,6-dione CAS Name: sodium 1-ethyl-3-(2-methylpropyl)purin-7-ide-2,6-dione IUPAC Name: sodium 1-ethyl-3-(2-methylpropyl)purin-7-ide-2,6-dione Traditional Name: sodium 1-ethyl-3-isobutyl-purin-7-ide-2,6-quinone Formula: C11H15N4NaO2 MolecularWeight: 258.25217

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C[N-]2)N(C1=O)CC(C)C.[Na+]

Isomeric SMILES

CCN1C(=O)C2=C(N=C[N-]2)N(C1=O)CC(C)C.[Na+]

InChI

InChI=1S/C11H16N4O2.Na/c1-4-14-10(16)8-9(13-6-12-8)15(11(14)17)5-7(2)3;/h6-7H,4-5H2,1-3H3,(H,12,13,16);/q;+1/p-1