8-(4-fluoranylphenoxy)-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-(4-fluoranylphenoxy)-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-(4-fluorophenoxy)-1,3-dimethyl-7-(o-tolylmethyl)purine-2,6-dione CAS Name: 8-(4-fluorophenoxy)-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(4-fluorophenoxy)-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(4-fluorophenoxy)-1,3-dimethyl-7-(2-methylbenzyl)xanthine Formula: C21H19FN4O3 MolecularWeight: 394.398963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C3=C(N=C2OC4=CC=C(C=C4)F)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=CC=C1CN2C3=C(N=C2OC4=CC=C(C=C4)F)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C21H19FN4O3/c1-13-6-4-5-7-14(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