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

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3,7-dimethyl-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-3,7-dimethyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-3,7-dimethyl-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-3,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-3,7-dimethyl-8-piperidino-xanthine Formula: C19H21ClFN5O2 MolecularWeight: 405.853743

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1N3CCCCC3)N(C(=O)N(C2=O)CC4=C(C=CC=C4Cl)F)C

Isomeric SMILES

CN1C2=C(N=C1N3CCCCC3)N(C(=O)N(C2=O)CC4=C(C=CC=C4Cl)F)C

InChI

InChI=1S/C19H21ClFN5O2/c1-23-15-16(22-18(23)25-9-4-3-5-10-25)24(2)19(28)26(17(15)27)11-12-13(20)7-6-8-14(12)21/h6-8H,3-5,9-11H2,1-2H3