8-(3-chloranylphenoxy)-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(3-chloranylphenoxy)-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(3-chlorophenoxy)-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(3-chlorophenoxy)-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(3-chlorophenoxy)-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-8-(3-chlorophenoxy)-1,3-dimethyl-xanthine Formula: C20H16Cl2N4O3 MolecularWeight: 431.27204

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC(=CC=C3)Cl)CC4=CC=CC=C4Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC(=CC=C3)Cl)CC4=CC=CC=C4Cl

InChI

InChI=1S/C20H16Cl2N4O3/c1-24-17-16(18(27)25(2)20(24)28)26(11-12-6-3-4-9-15(12)22)19(23-17)29-14-8-5-7-13(21)10-14/h3-10H,11H2,1-2H3