7-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-3-(4-methylphenyl)purine-2,6-dione

Systemtic Name: 7-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-3-(4-methylphenyl)purine-2,6-dione Openeye Name: 7-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-3-(p-tolyl)purine-2,6-dione CAS Name: 7-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-3-(4-methylphenyl)purine-2,6-dione IUPAC Name: 7-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-3-(4-methylphenyl)purine-2,6-dione Traditional Name: 7-(2-fluorobenzyl)-1-(2-methoxyethyl)-3-(p-tolyl)xanthine Formula: C22H21FN4O3 MolecularWeight: 408.425543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C(=O)N(C2=O)CCOC)N(C=N3)CC4=CC=CC=C4F

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C(=O)N(C2=O)CCOC)N(C=N3)CC4=CC=CC=C4F

InChI

InChI=1S/C22H21FN4O3/c1-15-7-9-17(10-8-15)27-20-19(21(28)26(22(27)29)11-12-30-2)25(14-24-20)13-16-5-3-4-6-18(16)23/h3-10,14H,11-13H2,1-2H3