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

Systemtic Name: 8-(4-chloranyl-2-methyl-phenoxy)-1-[(4-chlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-(4-chloro-2-methyl-phenoxy)-1-[(4-chlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(4-chloro-2-methylphenoxy)-1-[(4-chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-(4-chloro-2-methylphenoxy)-1-[(4-chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(4-chlorobenzyl)-8-(4-chloro-2-methyl-phenoxy)-3,7-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(N2C)C(=O)N(C(=O)N3C)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=C(C=C4)Cl

InChI

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