3-methyl-8-phenyl-purin-3-ium-2,6-dione

Systemtic Name: 3-methyl-8-phenyl-purin-3-ium-2,6-dione Openeye Name: 3-methyl-8-phenyl-purin-3-ium-2,6-dione CAS Name: 3-methyl-8-phenylpurin-3-ium-2,6-dione IUPAC Name: 3-methyl-8-phenylpurin-3-ium-2,6-dione Traditional Name: 3-methyl-8-phenyl-purin-3-ium-2,6-quinone Formula: C12H9N4O2+ MolecularWeight: 241.22546

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C(=NC(=N2)C3=CC=CC=C3)C(=O)NC1=O

Isomeric SMILES

C[N+]1=C2C(=NC(=N2)C3=CC=CC=C3)C(=O)NC1=O

InChI

InChI=1S/C12H8N4O2/c1-16-10-8(11(17)15-12(16)18)13-9(14-10)7-5-3-2-4-6-7/h2-6H,1H3/p+1