8-(4-chloranyl-2-methyl-phenoxy)-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(4-chloranyl-2-methyl-phenoxy)-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(4-chloro-2-methyl-phenoxy)-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(4-chloro-2-methylphenoxy)-7-[(4-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(4-chloro-2-methylphenoxy)-7-[(4-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-chlorobenzyl)-8-(4-chloro-2-methyl-phenoxy)-1,3-dimethyl-xanthine Formula: C21H18Cl2N4O3 MolecularWeight: 445.29862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC2=NC3=C(N2CC4=CC=C(C=C4)Cl)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC2=NC3=C(N2CC4=CC=C(C=C4)Cl)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C21H18Cl2N4O3/c1-12-10-15(23)8-9-16(12)30-20-24-18-17(19(28)26(3)21(29)25(18)2)27(20)11-13-4-6-14(22)7-5-13/h4-10H,11H2,1-3H3