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

Systemtic Name: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-[(pyridin-3-ylamino)methyl]purine-2,6-dione Openeye Name: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-[(3-pyridylamino)methyl]purine-2,6-dione CAS Name: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-[(3-pyridinylamino)methyl]purine-2,6-dione IUPAC Name: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-[(pyridin-3-ylamino)methyl]purine-2,6-dione Traditional Name: 7-(2-fluorobenzyl)-1,3-dimethyl-8-[(3-pyridylamino)methyl]xanthine Formula: C20H19FN6O2 MolecularWeight: 394.402263

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CNC3=CN=CC=C3)CC4=CC=CC=C4F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CNC3=CN=CC=C3)CC4=CC=CC=C4F

InChI

InChI=1S/C20H19FN6O2/c1-25-18-17(19(28)26(2)20(25)29)27(12-13-6-3-4-8-15(13)21)16(24-18)11-23-14-7-5-9-22-10-14/h3-10,23H,11-12H2,1-2H3