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

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3-[(2,4-dimethoxyphenyl)methyl]-8-ethyl-7-methyl-purine-2,6-dione Openeye Name: 1-[(4-chlorophenyl)methyl]-3-[(2,4-dimethoxyphenyl)methyl]-8-ethyl-7-methyl-purine-2,6-dione CAS Name: 1-[(4-chlorophenyl)methyl]-3-[(2,4-dimethoxyphenyl)methyl]-8-ethyl-7-methylpurine-2,6-dione IUPAC Name: 1-[(4-chlorophenyl)methyl]-3-[(2,4-dimethoxyphenyl)methyl]-8-ethyl-7-methylpurine-2,6-dione Traditional Name: 1-(4-chlorobenzyl)-3-(2,4-dimethoxybenzyl)-8-ethyl-7-methyl-xanthine Formula: C24H25ClN4O4 MolecularWeight: 468.9327

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1C)C(=O)N(C(=O)N2CC3=C(C=C(C=C3)OC)OC)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=NC2=C(N1C)C(=O)N(C(=O)N2CC3=C(C=C(C=C3)OC)OC)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H25ClN4O4/c1-5-20-26-22-21(27(20)2)23(30)29(13-15-6-9-17(25)10-7-15)24(31)28(22)14-16-8-11-18(32-3)12-19(16)33-4/h6-12H,5,13-14H2,1-4H3