1-[(4-fluorophenyl)methyl]-3,9-dimethyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3,9-dimethyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione Openeye Name: 1-[(4-fluorophenyl)methyl]-3,9-dimethyl-8-(4-methyl-1-piperidyl)purine-2,6-dione CAS Name: 1-[(4-fluorophenyl)methyl]-3,9-dimethyl-8-(4-methyl-1-piperidinyl)purine-2,6-dione IUPAC Name: 1-[(4-fluorophenyl)methyl]-3,9-dimethyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione Traditional Name: 1-(4-fluorobenzyl)-3,9-dimethyl-8-(4-methylpiperidino)xanthine Formula: C20H24FN5O2 MolecularWeight: 385.435263

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC3=C(N2C)N(C(=O)N(C3=O)CC4=CC=C(C=C4)F)C

Isomeric SMILES

CC1CCN(CC1)C2=NC3=C(N2C)N(C(=O)N(C3=O)CC4=CC=C(C=C4)F)C

InChI

InChI=1S/C20H24FN5O2/c1-13-8-10-25(11-9-13)19-22-16-17(23(19)2)24(3)20(28)26(18(16)27)12-14-4-6-15(21)7-5-14/h4-7,13H,8-12H2,1-3H3