9-butyl-3,7-dihydropurine-6,8-dione; sodium

Systemtic Name: 9-butyl-3,7-dihydropurine-6,8-dione; sodium Openeye Name: 9-butyl-3,7-dihydropurine-6,8-dione; sodium CAS Name: 9-butyl-3,7-dihydropurine-6,8-dione; sodium IUPAC Name: 9-butyl-3,7-dihydropurine-6,8-dione; sodium Traditional Name: 9-butyl-3,7-dihydropurine-6,8-quinone; sodium Formula: C9H12N4NaO2 MolecularWeight: 231.20695

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N=CN2)NC1=O.[Na]

Isomeric SMILES

CCCCN1C2=C(C(=O)N=CN2)NC1=O.[Na]

InChI

InChI=1S/C9H12N4O2.Na/c1-2-3-4-13-7-6(12-9(13)15)8(14)11-5-10-7;/h5H,2-4H2,1H3,(H,12,15)(H,10,11,14);