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

Systemtic Name: 1,7-bis[(4-chlorophenyl)methyl]-8-(4-methoxyphenoxy)-3-methyl-purine-2,6-dione Openeye Name: 1,7-bis[(4-chlorophenyl)methyl]-8-(4-methoxyphenoxy)-3-methyl-purine-2,6-dione CAS Name: 1,7-bis[(4-chlorophenyl)methyl]-8-(4-methoxyphenoxy)-3-methylpurine-2,6-dione IUPAC Name: 1,7-bis[(4-chlorophenyl)methyl]-8-(4-methoxyphenoxy)-3-methylpurine-2,6-dione Traditional Name: 1,7-bis(4-chlorobenzyl)-8-(4-methoxyphenoxy)-3-methyl-xanthine Formula: C27H22Cl2N4O4 MolecularWeight: 537.39398

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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=C(C=C4)OC)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=C(C=C4)OC)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H22Cl2N4O4/c1-31-24-23(25(34)33(27(31)35)16-18-5-9-20(29)10-6-18)32(15-17-3-7-19(28)8-4-17)26(30-24)37-22-13-11-21(36-2)12-14-22/h3-14H,15-16H2,1-2H3