8-(4-tert-butylphenoxy)-7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-9H-purin-7-ium-2,6-dione

Systemtic Name: 8-(4-tert-butylphenoxy)-7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-9H-purin-7-ium-2,6-dione Openeye Name: 8-(4-tert-butylphenoxy)-7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-9H-purin-7-ium-2,6-dione CAS Name: 8-(4-tert-butylphenoxy)-7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-9H-purin-7-ium-2,6-dione IUPAC Name: 8-(4-tert-butylphenoxy)-7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-9H-purin-7-ium-2,6-dione Traditional Name: 7-(4-tert-butylbenzyl)-8-(4-tert-butylphenoxy)-1,3-dimethyl-9H-purin-7-ium-2,6-quinone Formula: C28H35N4O3+ MolecularWeight: 475.6025

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C[N+]2=C(NC3=C2C(=O)N(C(=O)N3C)C)OC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[N+]2=C(NC3=C2C(=O)N(C(=O)N3C)C)OC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C28H34N4O3/c1-27(2,3)19-11-9-18(10-12-19)17-32-22-23(30(7)26(34)31(8)24(22)33)29-25(32)35-21-15-13-20(14-16-21)28(4,5)6/h9-16H,17H2,1-8H3/p+1