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

Systemtic Name: 8-(dimethylamino)-7-[(4-fluorophenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(dimethylamino)-7-[(4-fluorophenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-(dimethylamino)-7-[(4-fluorophenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(dimethylamino)-7-[(4-fluorophenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 8-(dimethylamino)-7-(4-fluorobenzyl)-3-methyl-xanthine Formula: C15H16FN5O2 MolecularWeight: 317.318243

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)C)CC3=CC=C(C=C3)F

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C15H16FN5O2/c1-19(2)14-17-12-11(13(22)18-15(23)20(12)3)21(14)8-9-4-6-10(16)7-5-9/h4-7H,8H2,1-3H3,(H,18,22,23)