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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=C(N=C(N2CC3=C(C=CC=C3Cl)F)N4CCCCC4)N(C1=O)C

Isomeric SMILES

CC(C)N1C(=O)C2=C(N=C(N2CC3=C(C=CC=C3Cl)F)N4CCCCC4)N(C1=O)C

InChI

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