1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-7-ethyl-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-7-ethyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-1-[(2-chloro-6-fluoro-phenyl)methyl]-7-ethyl-purine-2,6-dione CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-7-ethyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1-[(2-chloro-6-fluorophenyl)methyl]-7-ethylpurine-2,6-dione Traditional Name: 3-benzyl-1-(2-chloro-6-fluoro-benzyl)-7-ethyl-xanthine Formula: C21H18ClFN4O2 MolecularWeight: 412.844623

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C21H18ClFN4O2/c1-2-25-13-24-19-18(25)20(28)27(12-15-16(22)9-6-10-17(15)23)21(29)26(19)11-14-7-4-3-5-8-14/h3-10,13H,2,11-12H2,1H3