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

Systemtic Name: 7-[(2,4-dichlorophenyl)methyl]-8-(2-methoxyphenoxy)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2,4-dichlorophenyl)methyl]-8-(2-methoxyphenoxy)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2,4-dichlorophenyl)methyl]-8-(2-methoxyphenoxy)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2,4-dichlorophenyl)methyl]-8-(2-methoxyphenoxy)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2,4-dichlorobenzyl)-8-(2-methoxyphenoxy)-1,3-dimethyl-xanthine Formula: C21H18Cl2N4O4 MolecularWeight: 461.29802

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=CC=C3OC)CC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=CC=C3OC)CC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H18Cl2N4O4/c1-25-18-17(19(28)26(2)21(25)29)27(11-12-8-9-13(22)10-14(12)23)20(24-18)31-16-7-5-4-6-15(16)30-3/h4-10H,11H2,1-3H3