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

Systemtic Name: 3-(2,4-dichlorophenyl)-8-ethyl-7-(1-methoxypentan-2-yl)-1-methyl-purine-2,6-dione Openeye Name: 3-(2,4-dichlorophenyl)-8-ethyl-7-[1-(methoxymethyl)butyl]-1-methyl-purine-2,6-dione CAS Name: 3-(2,4-dichlorophenyl)-8-ethyl-7-(1-methoxypentan-2-yl)-1-methylpurine-2,6-dione IUPAC Name: 3-(2,4-dichlorophenyl)-8-ethyl-7-(1-methoxypentan-2-yl)-1-methylpurine-2,6-dione Traditional Name: 3-(2,4-dichlorophenyl)-8-ethyl-7-[1-(methoxymethyl)butyl]-1-methyl-xanthine Formula: C20H24Cl2N4O3 MolecularWeight: 439.33556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24Cl2N4O3/c1-5-7-13(11-29-4)25-16(6-2)23-18-17(25)19(27)24(3)20(28)26(18)15-9-8-12(21)10-14(15)22/h8-10,13H,5-7,11H2,1-4H3