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

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-8-(3-chlorophenyl)-3-methyl-1-propan-2-yl-purine-2,6-dione Openeye Name: 7-[(2-chloro-6-fluoro-phenyl)methyl]-8-(3-chlorophenyl)-1-isopropyl-3-methyl-purine-2,6-dione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-8-(3-chlorophenyl)-3-methyl-1-propan-2-ylpurine-2,6-dione IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methyl]-8-(3-chlorophenyl)-3-methyl-1-propan-2-ylpurine-2,6-dione Traditional Name: 7-(2-chloro-6-fluoro-benzyl)-8-(3-chlorophenyl)-1-isopropyl-3-methyl-xanthine Formula: C22H19Cl2FN4O2 MolecularWeight: 461.316263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=C(N=C(N2CC3=C(C=CC=C3Cl)F)C4=CC(=CC=C4)Cl)N(C1=O)C

Isomeric SMILES

CC(C)N1C(=O)C2=C(N=C(N2CC3=C(C=CC=C3Cl)F)C4=CC(=CC=C4)Cl)N(C1=O)C

InChI

InChI=1S/C22H19Cl2FN4O2/c1-12(2)29-21(30)18-20(27(3)22(29)31)26-19(13-6-4-7-14(23)10-13)28(18)11-15-16(24)8-5-9-17(15)25/h4-10,12H,11H2,1-3H3