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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OC3=CC=CC=C3OC)N(C(=O)N(C2=O)CC4=CC(=C(C=C4)Cl)Cl)C

Isomeric SMILES

CN1C2=C(N=C1OC3=CC=CC=C3OC)N(C(=O)N(C2=O)CC4=CC(=C(C=C4)Cl)Cl)C

InChI

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