1-[(4-chlorophenyl)methyl]-8-ethyl-7-(4-fluorophenyl)-3-propyl-purine-2,6-dione

Systemtic Name: 1-[(4-chlorophenyl)methyl]-8-ethyl-7-(4-fluorophenyl)-3-propyl-purine-2,6-dione Openeye Name: 1-[(4-chlorophenyl)methyl]-8-ethyl-7-(4-fluorophenyl)-3-propyl-purine-2,6-dione CAS Name: 1-[(4-chlorophenyl)methyl]-8-ethyl-7-(4-fluorophenyl)-3-propylpurine-2,6-dione IUPAC Name: 1-[(4-chlorophenyl)methyl]-8-ethyl-7-(4-fluorophenyl)-3-propylpurine-2,6-dione Traditional Name: 1-(4-chlorobenzyl)-8-ethyl-7-(4-fluorophenyl)-3-propyl-xanthine Formula: C23H22ClFN4O2 MolecularWeight: 440.897783

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Cl)N(C(=N2)CC)C4=CC=C(C=C4)F

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Cl)N(C(=N2)CC)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H22ClFN4O2/c1-3-13-27-21-20(29(19(4-2)26-21)18-11-9-17(25)10-12-18)22(30)28(23(27)31)14-15-5-7-16(24)8-6-15/h5-12H,3-4,13-14H2,1-2H3