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

Systemtic Name: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(2-piperidin-2-ylethylamino)purine-2,6-dione Openeye Name: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-[2-(2-piperidyl)ethylamino]purine-2,6-dione CAS Name: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-[2-(2-piperidinyl)ethylamino]purine-2,6-dione IUPAC Name: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(2-piperidin-2-ylethylamino)purine-2,6-dione Traditional Name: 7-(2-fluorobenzyl)-1,3-dimethyl-8-[2-(2-piperidyl)ethylamino]xanthine Formula: C21H27FN6O2 MolecularWeight: 414.476483

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC3CCCCN3)CC4=CC=CC=C4F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC3CCCCN3)CC4=CC=CC=C4F

InChI

InChI=1S/C21H27FN6O2/c1-26-18-17(19(29)27(2)21(26)30)28(13-14-7-3-4-9-16(14)22)20(25-18)24-12-10-15-8-5-6-11-23-15/h3-4,7,9,15,23H,5-6,8,10-13H2,1-2H3,(H,24,25)