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

Systemtic Name: 8-(4-fluoranylphenoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]-9H-purin-7-ium-2,6-dione Openeye Name: 8-(4-fluorophenoxy)-1,3-dimethyl-7-(p-tolylmethyl)-9H-purin-7-ium-2,6-dione CAS Name: 8-(4-fluorophenoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]-9H-purin-7-ium-2,6-dione IUPAC Name: 8-(4-fluorophenoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]-9H-purin-7-ium-2,6-dione Traditional Name: 8-(4-fluorophenoxy)-1,3-dimethyl-7-(4-methylbenzyl)-9H-purin-7-ium-2,6-quinone Formula: C21H20FN4O3+ MolecularWeight: 395.406903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[N+]2=C(NC3=C2C(=O)N(C(=O)N3C)C)OC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)C[N+]2=C(NC3=C2C(=O)N(C(=O)N3C)C)OC4=CC=C(C=C4)F

InChI

InChI=1S/C21H19FN4O3/c1-13-4-6-14(7-5-13)12-26-17-18(24(2)21(28)25(3)19(17)27)23-20(26)29-16-10-8-15(22)9-11-16/h4-11H,12H2,1-3H3/p+1