sodium 8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)purin-7-ide-2,6-dione

Systemtic Name: sodium 8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)purin-7-ide-2,6-dione Openeye Name: sodium 3-isobutyl-8-(methoxymethyl)-1-methyl-purin-7-ide-2,6-dione CAS Name: sodium 8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)purin-7-ide-2,6-dione IUPAC Name: sodium 8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)purin-7-ide-2,6-dione Traditional Name: sodium 3-isobutyl-8-(methoxymethyl)-1-methyl-purin-7-ide-2,6-quinone Formula: C12H17N4NaO3 MolecularWeight: 288.27815

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4O3.Na/c1-7(2)5-16-10-9(11(17)15(3)12(16)18)13-8(14-10)6-19-4;/h7H,5-6H2,1-4H3,(H,13,14,17);/q;+1/p-1