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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OC3=CC=C(C=C3)C4=CC=CC=C4)N(C(=O)N(C2=O)CC5=C(C=C(C=C5)Cl)Cl)C

Isomeric SMILES

CN1C2=C(N=C1OC3=CC=C(C=C3)C4=CC=CC=C4)N(C(=O)N(C2=O)CC5=C(C=C(C=C5)Cl)Cl)C

InChI

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