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

Systemtic Name: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-(2-fluorobenzyl)-1,3-dimethyl-8-piperidino-xanthine Formula: C19H22FN5O2 MolecularWeight: 371.408683

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CC4=CC=CC=C4F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CC4=CC=CC=C4F

InChI

InChI=1S/C19H22FN5O2/c1-22-16-15(17(26)23(2)19(22)27)25(12-13-8-4-5-9-14(13)20)18(21-16)24-10-6-3-7-11-24/h4-5,8-9H,3,6-7,10-12H2,1-2H3