7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-8-(3-methoxyphenyl)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-8-(3-methoxyphenyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2-chloro-6-fluoro-phenyl)methyl]-8-(3-methoxyphenyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-8-(3-methoxyphenyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methyl]-8-(3-methoxyphenyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-chloro-6-fluoro-benzyl)-8-(3-methoxyphenyl)-1,3-dimethyl-xanthine Formula: C21H18ClFN4O3 MolecularWeight: 428.844023

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C3=CC(=CC=C3)OC)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C3=CC(=CC=C3)OC)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C21H18ClFN4O3/c1-25-19-17(20(28)26(2)21(25)29)27(11-14-15(22)8-5-9-16(14)23)18(24-19)12-6-4-7-13(10-12)30-3/h4-10H,11H2,1-3H3