7-[(2-fluorophenyl)methyl]-1,9-dimethyl-2-(4-methylphenoxy)purine-6,8-dione

Systemtic Name: 7-[(2-fluorophenyl)methyl]-1,9-dimethyl-2-(4-methylphenoxy)purine-6,8-dione Openeye Name: 7-[(2-fluorophenyl)methyl]-1,9-dimethyl-2-(4-methylphenoxy)purine-6,8-dione CAS Name: 7-[(2-fluorophenyl)methyl]-1,9-dimethyl-2-(4-methylphenoxy)purine-6,8-dione IUPAC Name: 7-[(2-fluorophenyl)methyl]-1,9-dimethyl-2-(4-methylphenoxy)purine-6,8-dione Traditional Name: 7-(2-fluorobenzyl)-1,9-dimethyl-2-(4-methylphenoxy)purine-6,8-quinone Formula: C21H19FN4O3 MolecularWeight: 394.398963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)OC2=NC3=C(C(=O)N2C)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(19(27)25(20)3)26(21(28)24(18)2)12-14-6-4-5-7-16(14)22/h4-11H,12H2,1-3H3