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

Systemtic Name: sodium 1-butyl-3-methyl-purin-7-ide-2,6-dione Openeye Name: sodium 1-butyl-3-methyl-purin-7-ide-2,6-dione CAS Name: sodium 1-butyl-3-methylpurin-7-ide-2,6-dione IUPAC Name: sodium 1-butyl-3-methylpurin-7-ide-2,6-dione Traditional Name: sodium 1-butyl-3-methyl-purin-7-ide-2,6-quinone Formula: C10H13N4NaO2 MolecularWeight: 244.22559

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C[N-]2)N(C1=O)C.[Na+]

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C[N-]2)N(C1=O)C.[Na+]

InChI

InChI=1S/C10H14N4O2.Na/c1-3-4-5-14-9(15)7-8(12-6-11-7)13(2)10(14)16;/h6H,3-5H2,1-2H3,(H,11,12,15);/q;+1/p-1