8-(3-ethoxyphenyl)-1,3-dimethyl-purin-3-ium-2,6-dione

Systemtic Name: 8-(3-ethoxyphenyl)-1,3-dimethyl-purin-3-ium-2,6-dione Openeye Name: 8-(3-ethoxyphenyl)-1,3-dimethyl-purin-3-ium-2,6-dione CAS Name: 8-(3-ethoxyphenyl)-1,3-dimethylpurin-3-ium-2,6-dione IUPAC Name: 8-(3-ethoxyphenyl)-1,3-dimethylpurin-3-ium-2,6-dione Traditional Name: 1,3-dimethyl-8-m-phenetyl-purin-3-ium-2,6-quinone Formula: C15H15N4O3+ MolecularWeight: 299.3046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N4O3/c1-4-22-10-7-5-6-9(8-10)12-16-11-13(17-12)18(2)15(21)19(3)14(11)20/h5-8H,4H2,1-3H3/q+1