sodium 8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-2-oxidanylidene-purin-6-olate

Systemtic Name: sodium 8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-2-oxidanylidene-purin-6-olate Openeye Name: sodium 3-isobutyl-8-(methoxymethyl)-1-methyl-2-oxo-purin-6-olate CAS Name: sodium 8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-2-oxo-6-purinolate IUPAC Name: sodium 8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-2-oxopurin-6-olate Traditional Name: sodium 3-isobutyl-2-keto-8-(methoxymethyl)-1-methyl-purin-6-olate Formula: C12H17N4NaO3 MolecularWeight: 288.27815

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=NC(=NC2=C(N(C1=O)C)[O-])COC.[Na+]

Isomeric SMILES

CC(C)CN1C2=NC(=NC2=C(N(C1=O)C)[O-])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;/h7,17H,5-6H2,1-4H3;/q;+1/p-1