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

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-ethyl-8-piperidin-1-yl-1-propan-2-yl-purine-2,6-dione Openeye Name: 7-[(2-chloro-6-fluoro-phenyl)methyl]-3-ethyl-1-isopropyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-3-ethyl-8-(1-piperidinyl)-1-propan-2-ylpurine-2,6-dione IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methyl]-3-ethyl-8-piperidin-1-yl-1-propan-2-ylpurine-2,6-dione Traditional Name: 7-(2-chloro-6-fluoro-benzyl)-3-ethyl-1-isopropyl-8-piperidino-xanthine Formula: C22H27ClFN5O2 MolecularWeight: 447.933483

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)C(C)C)N(C(=N2)N3CCCCC3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)C(C)C)N(C(=N2)N3CCCCC3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C22H27ClFN5O2/c1-4-27-19-18(20(30)29(14(2)3)22(27)31)28(13-15-16(23)9-8-10-17(15)24)21(25-19)26-11-6-5-7-12-26/h8-10,14H,4-7,11-13H2,1-3H3