7-(4-cyclobutylbutyl)-3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-purine-2,6-dione

Systemtic Name: 7-(4-cyclobutylbutyl)-3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-purine-2,6-dione Openeye Name: 7-(4-cyclobutylbutyl)-3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-purine-2,6-dione CAS Name: 7-(4-cyclobutylbutyl)-3-(2,4-dichlorophenyl)-8-ethyl-1-methylpurine-2,6-dione IUPAC Name: 7-(4-cyclobutylbutyl)-3-(2,4-dichlorophenyl)-8-ethyl-1-methylpurine-2,6-dione Traditional Name: 7-(4-cyclobutylbutyl)-3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-xanthine Formula: C22H26Cl2N4O2 MolecularWeight: 449.37344

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1CCCCC3CCC3)C(=O)N(C(=O)N2C4=C(C=C(C=C4)Cl)Cl)C

Isomeric SMILES

CCC1=NC2=C(N1CCCCC3CCC3)C(=O)N(C(=O)N2C4=C(C=C(C=C4)Cl)Cl)C

InChI

InChI=1S/C22H26Cl2N4O2/c1-3-18-25-20-19(27(18)12-5-4-7-14-8-6-9-14)21(29)26(2)22(30)28(20)17-11-10-15(23)13-16(17)24/h10-11,13-14H,3-9,12H2,1-2H3