1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3,7-dimethyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3,7-dimethyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-3,7-dimethyl-8-(4-methyl-1-piperidyl)purine-2,6-dione CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-3,7-dimethyl-8-(4-methyl-1-piperidinyl)purine-2,6-dione IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-3,7-dimethyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-3,7-dimethyl-8-(4-methylpiperidino)xanthine Formula: C20H23ClFN5O2 MolecularWeight: 419.880323

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CC1CCN(CC1)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C20H23ClFN5O2/c1-12-7-9-26(10-8-12)19-23-17-16(24(19)2)18(28)27(20(29)25(17)3)11-13-14(21)5-4-6-15(13)22/h4-6,12H,7-11H2,1-3H3