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

Systemtic Name: 3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-7-pentan-2-yl-purine-2,6-dione Openeye Name: 3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-7-(1-methylbutyl)purine-2,6-dione CAS Name: 3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-7-pentan-2-ylpurine-2,6-dione IUPAC Name: 3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-7-pentan-2-ylpurine-2,6-dione Traditional Name: 3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-7-(1-methylbutyl)xanthine Formula: C19H22Cl2N4O2 MolecularWeight: 409.30958

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N1C(=NC2=C1C(=O)N(C(=O)N2C3=C(C=C(C=C3)Cl)Cl)C)CC

Isomeric SMILES

CCCC(C)N1C(=NC2=C1C(=O)N(C(=O)N2C3=C(C=C(C=C3)Cl)Cl)C)CC

InChI

InChI=1S/C19H22Cl2N4O2/c1-5-7-11(3)24-15(6-2)22-17-16(24)18(26)23(4)19(27)25(17)14-9-8-12(20)10-13(14)21/h8-11H,5-7H2,1-4H3