sodium 1-methyl-3-pentyl-purin-7-ide-2,6-dione

Systemtic Name: sodium 1-methyl-3-pentyl-purin-7-ide-2,6-dione Openeye Name: sodium 1-methyl-3-pentyl-purin-7-ide-2,6-dione CAS Name: sodium 1-methyl-3-pentylpurin-7-ide-2,6-dione IUPAC Name: sodium 1-methyl-3-pentylpurin-7-ide-2,6-dione Traditional Name: sodium 3-amyl-1-methyl-purin-7-ide-2,6-quinone Formula: C11H15N4NaO2 MolecularWeight: 258.25217

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C(=O)N(C1=O)C)[N-]C=N2.[Na+]

Isomeric SMILES

CCCCCN1C2=C(C(=O)N(C1=O)C)[N-]C=N2.[Na+]

InChI

InChI=1S/C11H16N4O2.Na/c1-3-4-5-6-15-9-8(12-7-13-9)10(16)14(2)11(15)17;/h7H,3-6H2,1-2H3,(H,12,13,16);/q;+1/p-1