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

Systemtic Name: 1,7-bis[(4-chlorophenyl)methyl]-3-methyl-8-phenoxy-purine-2,6-dione Openeye Name: 1,7-bis[(4-chlorophenyl)methyl]-3-methyl-8-phenoxy-purine-2,6-dione CAS Name: 1,7-bis[(4-chlorophenyl)methyl]-3-methyl-8-phenoxypurine-2,6-dione IUPAC Name: 1,7-bis[(4-chlorophenyl)methyl]-3-methyl-8-phenoxypurine-2,6-dione Traditional Name: 1,7-bis(4-chlorobenzyl)-3-methyl-8-phenoxy-xanthine Formula: C26H20Cl2N4O3 MolecularWeight: 507.368

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Cl)N(C(=N2)OC4=CC=CC=C4)CC5=CC=C(C=C5)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Cl)N(C(=N2)OC4=CC=CC=C4)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H20Cl2N4O3/c1-30-23-22(24(33)32(26(30)34)16-18-9-13-20(28)14-10-18)31(15-17-7-11-19(27)12-8-17)25(29-23)35-21-5-3-2-4-6-21/h2-14H,15-16H2,1H3