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

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-8-piperidin-1-yl-1,3-di(propan-2-yl)purine-2,6-dione Openeye Name: 7-[(2-chloro-6-fluoro-phenyl)methyl]-1,3-diisopropyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-8-(1-piperidinyl)-1,3-di(propan-2-yl)purine-2,6-dione IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methyl]-8-piperidin-1-yl-1,3-di(propan-2-yl)purine-2,6-dione Traditional Name: 7-(2-chloro-6-fluoro-benzyl)-1,3-diisopropyl-8-piperidino-xanthine Formula: C23H29ClFN5O2 MolecularWeight: 461.960063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C(=O)N(C1=O)C(C)C)N(C(=N2)N3CCCCC3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CC(C)N1C2=C(C(=O)N(C1=O)C(C)C)N(C(=N2)N3CCCCC3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C23H29ClFN5O2/c1-14(2)29-20-19(21(31)30(15(3)4)23(29)32)28(13-16-17(24)9-8-10-18(16)25)22(26-20)27-11-6-5-7-12-27/h8-10,14-15H,5-7,11-13H2,1-4H3