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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)C(C)C)N(C(=N2)N3CCCCC3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)C(C)C)N(C(=N2)N3CCCCC3)CC4=C(C=CC=C4Cl)F

InChI

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