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

Systemtic Name: 1,7-bis[(4-chlorophenyl)methyl]-3-methyl-8-(2-methylphenoxy)purine-2,6-dione Openeye Name: 1,7-bis[(4-chlorophenyl)methyl]-3-methyl-8-(2-methylphenoxy)purine-2,6-dione CAS Name: 1,7-bis[(4-chlorophenyl)methyl]-3-methyl-8-(2-methylphenoxy)purine-2,6-dione IUPAC Name: 1,7-bis[(4-chlorophenyl)methyl]-3-methyl-8-(2-methylphenoxy)purine-2,6-dione Traditional Name: 1,7-bis(4-chlorobenzyl)-3-methyl-8-(2-methylphenoxy)xanthine Formula: C27H22Cl2N4O3 MolecularWeight: 521.39458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=NC3=C(N2CC4=CC=C(C=C4)Cl)C(=O)N(C(=O)N3C)CC5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=CC=CC=C1OC2=NC3=C(N2CC4=CC=C(C=C4)Cl)C(=O)N(C(=O)N3C)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H22Cl2N4O3/c1-17-5-3-4-6-22(17)36-26-30-24-23(32(26)15-18-7-11-20(28)12-8-18)25(34)33(27(35)31(24)2)16-19-9-13-21(29)14-10-19/h3-14H,15-16H2,1-2H3