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

Systemtic Name: 1-[(3,4-dimethylphenyl)methyl]-8-(4-fluoranylphenoxy)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[(3,4-dimethylphenyl)methyl]-8-(4-fluorophenoxy)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(3,4-dimethylphenyl)methyl]-8-(4-fluorophenoxy)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(3,4-dimethylphenyl)methyl]-8-(4-fluorophenoxy)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(3,4-dimethylbenzyl)-8-(4-fluorophenoxy)-3,7-dimethyl-xanthine Formula: C22H21FN4O3 MolecularWeight: 408.425543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN2C(=O)C3=C(N=C(N3C)OC4=CC=C(C=C4)F)N(C2=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)CN2C(=O)C3=C(N=C(N3C)OC4=CC=C(C=C4)F)N(C2=O)C)C

InChI

InChI=1S/C22H21FN4O3/c1-13-5-6-15(11-14(13)2)12-27-20(28)18-19(26(4)22(27)29)24-21(25(18)3)30-17-9-7-16(23)8-10-17/h5-11H,12H2,1-4H3