8-(3,4-dimethoxyphenyl)-3-methyl-purin-3-ium-2,6-dione

Systemtic Name: 8-(3,4-dimethoxyphenyl)-3-methyl-purin-3-ium-2,6-dione Openeye Name: 8-(3,4-dimethoxyphenyl)-3-methyl-purin-3-ium-2,6-dione CAS Name: 8-(3,4-dimethoxyphenyl)-3-methylpurin-3-ium-2,6-dione IUPAC Name: 8-(3,4-dimethoxyphenyl)-3-methylpurin-3-ium-2,6-dione Traditional Name: 8-(3,4-dimethoxyphenyl)-3-methyl-purin-3-ium-2,6-quinone Formula: C14H13N4O4+ MolecularWeight: 301.27742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N4O4/c1-18-12-10(13(19)17-14(18)20)15-11(16-12)7-4-5-8(21-2)9(6-7)22-3/h4-6H,1-3H3/p+1