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

Systemtic Name: 3-methyl-8-(3-phenylmethoxyphenyl)purin-3-ium-2,6-dione Openeye Name: 8-(3-benzyloxyphenyl)-3-methyl-purin-3-ium-2,6-dione CAS Name: 3-methyl-8-(3-phenylmethoxyphenyl)purin-3-ium-2,6-dione IUPAC Name: 3-methyl-8-(3-phenylmethoxyphenyl)purin-3-ium-2,6-dione Traditional Name: 8-(3-benzoxyphenyl)-3-methyl-purin-3-ium-2,6-quinone Formula: C19H15N4O3+ MolecularWeight: 347.3474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14N4O3/c1-23-17-15(18(24)22-19(23)25)20-16(21-17)13-8-5-9-14(10-13)26-11-12-6-3-2-4-7-12/h2-10H,11H2,1H3/p+1