7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(2-phenoxyethoxy)purine-2,6-dione

Systemtic Name: 7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(2-phenoxyethoxy)purine-2,6-dione Openeye Name: 7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(2-phenoxyethoxy)purine-2,6-dione CAS Name: 7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(2-phenoxyethoxy)purine-2,6-dione IUPAC Name: 7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(2-phenoxyethoxy)purine-2,6-dione Traditional Name: 7-(2,4-dichlorobenzyl)-1,3-dimethyl-8-(2-phenoxyethoxy)xanthine Formula: C22H20Cl2N4O4 MolecularWeight: 475.3246

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OCCOC3=CC=CC=C3)CC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OCCOC3=CC=CC=C3)CC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H20Cl2N4O4/c1-26-19-18(20(29)27(2)22(26)30)28(13-14-8-9-15(23)12-17(14)24)21(25-19)32-11-10-31-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3