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

Systemtic Name: 1-[(2-fluorophenyl)methyl]-3,7-dimethyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione Openeye Name: 1-[(2-fluorophenyl)methyl]-3,7-dimethyl-8-(p-tolylmethylamino)purine-2,6-dione CAS Name: 1-[(2-fluorophenyl)methyl]-3,7-dimethyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione IUPAC Name: 1-[(2-fluorophenyl)methyl]-3,7-dimethyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione Traditional Name: 1-(2-fluorobenzyl)-3,7-dimethyl-8-[(4-methylbenzyl)amino]xanthine Formula: C22H22FN5O2 MolecularWeight: 407.440783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4F

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4F

InChI

InChI=1S/C22H22FN5O2/c1-14-8-10-15(11-9-14)12-24-21-25-19-18(26(21)2)20(29)28(22(30)27(19)3)13-16-6-4-5-7-17(16)23/h4-11H,12-13H2,1-3H3,(H,24,25)