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

Systemtic Name: 1,7-bis[(4-chlorophenyl)methyl]-8-(3,4-dimethylphenoxy)-3-methyl-purine-2,6-dione Openeye Name: 1,7-bis[(4-chlorophenyl)methyl]-8-(3,4-dimethylphenoxy)-3-methyl-purine-2,6-dione CAS Name: 1,7-bis[(4-chlorophenyl)methyl]-8-(3,4-dimethylphenoxy)-3-methylpurine-2,6-dione IUPAC Name: 1,7-bis[(4-chlorophenyl)methyl]-8-(3,4-dimethylphenoxy)-3-methylpurine-2,6-dione Traditional Name: 1,7-bis(4-chlorobenzyl)-8-(3,4-dimethylphenoxy)-3-methyl-xanthine Formula: C28H24Cl2N4O3 MolecularWeight: 535.42116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=NC3=C(N2CC4=CC=C(C=C4)Cl)C(=O)N(C(=O)N3C)CC5=CC=C(C=C5)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=NC3=C(N2CC4=CC=C(C=C4)Cl)C(=O)N(C(=O)N3C)CC5=CC=C(C=C5)Cl)C

InChI

InChI=1S/C28H24Cl2N4O3/c1-17-4-13-23(14-18(17)2)37-27-31-25-24(33(27)15-19-5-9-21(29)10-6-19)26(35)34(28(36)32(25)3)16-20-7-11-22(30)12-8-20/h4-14H,15-16H2,1-3H3