7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(4-phenylphenoxy)purine-2,6-dione

Systemtic Name: 7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(4-phenylphenoxy)purine-2,6-dione Openeye Name: 7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(4-phenylphenoxy)purine-2,6-dione CAS Name: 7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(4-phenylphenoxy)purine-2,6-dione IUPAC Name: 7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(4-phenylphenoxy)purine-2,6-dione Traditional Name: 7-(2,4-dichlorobenzyl)-1,3-dimethyl-8-(4-phenylphenoxy)xanthine Formula: C26H20Cl2N4O3 MolecularWeight: 507.368

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=C(C=C3)C4=CC=CC=C4)CC5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=C(C=C3)C4=CC=CC=C4)CC5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C26H20Cl2N4O3/c1-30-23-22(24(33)31(2)26(30)34)32(15-18-8-11-19(27)14-21(18)28)25(29-23)35-20-12-9-17(10-13-20)16-6-4-3-5-7-16/h3-14H,15H2,1-2H3