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

Systemtic Name: 1-[(2-fluorophenyl)methyl]-3,7-dimethyl-8-(4-methylphenoxy)purine-2,6-dione Openeye Name: 1-[(2-fluorophenyl)methyl]-3,7-dimethyl-8-(4-methylphenoxy)purine-2,6-dione CAS Name: 1-[(2-fluorophenyl)methyl]-3,7-dimethyl-8-(4-methylphenoxy)purine-2,6-dione IUPAC Name: 1-[(2-fluorophenyl)methyl]-3,7-dimethyl-8-(4-methylphenoxy)purine-2,6-dione Traditional Name: 1-(2-fluorobenzyl)-3,7-dimethyl-8-(4-methylphenoxy)xanthine Formula: C21H19FN4O3 MolecularWeight: 394.398963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4F

Isomeric SMILES

CC1=CC=C(C=C1)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4F

InChI

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