3-(2,4-dichlorophenyl)-7-[di(cyclobutyl)methyl]-8-ethyl-1-methyl-purine-2,6-dione

Systemtic Name: 3-(2,4-dichlorophenyl)-7-[di(cyclobutyl)methyl]-8-ethyl-1-methyl-purine-2,6-dione Openeye Name: 3-(2,4-dichlorophenyl)-7-[di(cyclobutyl)methyl]-8-ethyl-1-methyl-purine-2,6-dione CAS Name: 3-(2,4-dichlorophenyl)-7-[di(cyclobutyl)methyl]-8-ethyl-1-methylpurine-2,6-dione IUPAC Name: 3-(2,4-dichlorophenyl)-7-[di(cyclobutyl)methyl]-8-ethyl-1-methylpurine-2,6-dione Traditional Name: 3-(2,4-dichlorophenyl)-7-[di(cyclobutyl)methyl]-8-ethyl-1-methyl-xanthine Formula: C23H26Cl2N4O2 MolecularWeight: 461.38414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1C(C3CCC3)C4CCC4)C(=O)N(C(=O)N2C5=C(C=C(C=C5)Cl)Cl)C

Isomeric SMILES

CCC1=NC2=C(N1C(C3CCC3)C4CCC4)C(=O)N(C(=O)N2C5=C(C=C(C=C5)Cl)Cl)C

InChI

InChI=1S/C23H26Cl2N4O2/c1-3-18-26-21-20(29(18)19(13-6-4-7-13)14-8-5-9-14)22(30)27(2)23(31)28(21)17-11-10-15(24)12-16(17)25/h10-14,19H,3-9H2,1-2H3