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

Systemtic Name: 8-(3-ethoxyphenyl)-3-methyl-purin-3-ium-2,6-dione Openeye Name: 8-(3-ethoxyphenyl)-3-methyl-purin-3-ium-2,6-dione CAS Name: 8-(3-ethoxyphenyl)-3-methylpurin-3-ium-2,6-dione IUPAC Name: 8-(3-ethoxyphenyl)-3-methylpurin-3-ium-2,6-dione Traditional Name: 3-methyl-8-m-phenetyl-purin-3-ium-2,6-quinone Formula: C14H13N4O3+ MolecularWeight: 285.27802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=NC3=[N+](C(=O)NC(=O)C3=N2)C

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NC3=[N+](C(=O)NC(=O)C3=N2)C

InChI

InChI=1S/C14H12N4O3/c1-3-21-9-6-4-5-8(7-9)11-15-10-12(16-11)18(2)14(20)17-13(10)19/h4-7H,3H2,1-2H3/p+1