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

Systemtic Name: 7-(1-cyclobutylethyl)-3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-purine-2,6-dione Openeye Name: 7-(1-cyclobutylethyl)-3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-purine-2,6-dione CAS Name: 7-(1-cyclobutylethyl)-3-(2,4-dichlorophenyl)-8-ethyl-1-methylpurine-2,6-dione IUPAC Name: 7-(1-cyclobutylethyl)-3-(2,4-dichlorophenyl)-8-ethyl-1-methylpurine-2,6-dione Traditional Name: 7-(1-cyclobutylethyl)-3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-xanthine Formula: C20H22Cl2N4O2 MolecularWeight: 421.32028

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1C(C)C3CCC3)C(=O)N(C(=O)N2C4=C(C=C(C=C4)Cl)Cl)C

Isomeric SMILES

CCC1=NC2=C(N1C(C)C3CCC3)C(=O)N(C(=O)N2C4=C(C=C(C=C4)Cl)Cl)C

InChI

InChI=1S/C20H22Cl2N4O2/c1-4-16-23-18-17(25(16)11(2)12-6-5-7-12)19(27)24(3)20(28)26(18)15-9-8-13(21)10-14(15)22/h8-12H,4-7H2,1-3H3