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

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1-methyl-8-piperidin-1-yl-3-propyl-purine-2,6-dione Openeye Name: 7-[(2-chloro-6-fluoro-phenyl)methyl]-1-methyl-8-(1-piperidyl)-3-propyl-purine-2,6-dione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-8-(1-piperidinyl)-3-propylpurine-2,6-dione IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-8-piperidin-1-yl-3-propylpurine-2,6-dione Traditional Name: 7-(2-chloro-6-fluoro-benzyl)-1-methyl-8-piperidino-3-propyl-xanthine Formula: C21H25ClFN5O2 MolecularWeight: 433.906903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClFN5O2/c1-3-10-27-18-17(19(29)25(2)21(27)30)28(13-14-15(22)8-7-9-16(14)23)20(24-18)26-11-5-4-6-12-26/h7-9H,3-6,10-13H2,1-2H3