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

Systemtic Name: 8-(3-methoxy-4-phenylmethoxy-phenyl)-3-methyl-purin-3-ium-2,6-dione Openeye Name: 8-(4-benzyloxy-3-methoxy-phenyl)-3-methyl-purin-3-ium-2,6-dione CAS Name: 8-(3-methoxy-4-phenylmethoxyphenyl)-3-methylpurin-3-ium-2,6-dione IUPAC Name: 8-(3-methoxy-4-phenylmethoxyphenyl)-3-methylpurin-3-ium-2,6-dione Traditional Name: 8-(4-benzoxy-3-methoxy-phenyl)-3-methyl-purin-3-ium-2,6-quinone Formula: C20H17N4O4+ MolecularWeight: 377.37338

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C(=NC(=N2)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C(=O)NC1=O

Isomeric SMILES

C[N+]1=C2C(=NC(=N2)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C(=O)NC1=O

InChI

InChI=1S/C20H16N4O4/c1-24-18-16(19(25)23-20(24)26)21-17(22-18)13-8-9-14(15(10-13)27-2)28-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3/p+1