8-(3-ethoxy-4-methoxy-phenyl)-3-methyl-purin-3-ium-2,6-dione

Systemtic Name: 8-(3-ethoxy-4-methoxy-phenyl)-3-methyl-purin-3-ium-2,6-dione Openeye Name: 8-(3-ethoxy-4-methoxy-phenyl)-3-methyl-purin-3-ium-2,6-dione CAS Name: 8-(3-ethoxy-4-methoxyphenyl)-3-methylpurin-3-ium-2,6-dione IUPAC Name: 8-(3-ethoxy-4-methoxyphenyl)-3-methylpurin-3-ium-2,6-dione Traditional Name: 8-(3-ethoxy-4-methoxy-phenyl)-3-methyl-purin-3-ium-2,6-quinone Formula: C15H15N4O4+ MolecularWeight: 315.304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N4O4/c1-4-23-10-7-8(5-6-9(10)22-3)12-16-11-13(17-12)19(2)15(21)18-14(11)20/h5-7H,4H2,1-3H3/p+1