1-[(4-chlorophenyl)methyl]-8-(3,5-dimethylphenoxy)-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[(4-chlorophenyl)methyl]-8-(3,5-dimethylphenoxy)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[(4-chlorophenyl)methyl]-8-(3,5-dimethylphenoxy)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(4-chlorophenyl)methyl]-8-(3,5-dimethylphenoxy)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(4-chlorophenyl)methyl]-8-(3,5-dimethylphenoxy)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(4-chlorobenzyl)-8-(3,5-dimethylphenoxy)-3,7-dimethyl-xanthine Formula: C22H21ClN4O3 MolecularWeight: 424.88014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN4O3/c1-13-9-14(2)11-17(10-13)30-21-24-19-18(25(21)3)20(28)27(22(29)26(19)4)12-15-5-7-16(23)8-6-15/h5-11H,12H2,1-4H3