1-[(2-chlorophenyl)methyl]-8-(diphenylmethyl)oxy-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[(2-chlorophenyl)methyl]-8-(diphenylmethyl)oxy-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-benzhydryloxy-1-[(2-chlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(2-chlorophenyl)methyl]-8-(diphenylmethyl)oxy-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-benzhydryloxy-1-[(2-chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 8-benzhydryloxy-1-(2-chlorobenzyl)-3,7-dimethyl-xanthine Formula: C27H23ClN4O3 MolecularWeight: 486.94952

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OC(C3=CC=CC=C3)C4=CC=CC=C4)N(C(=O)N(C2=O)CC5=CC=CC=C5Cl)C

Isomeric SMILES

CN1C2=C(N=C1OC(C3=CC=CC=C3)C4=CC=CC=C4)N(C(=O)N(C2=O)CC5=CC=CC=C5Cl)C

InChI

InChI=1S/C27H23ClN4O3/c1-30-22-24(31(2)27(34)32(25(22)33)17-20-15-9-10-16-21(20)28)29-26(30)35-23(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16,23H,17H2,1-2H3