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

Systemtic Name: 3-(2,4-dichlorophenyl)-7-(1,3-dimethoxypropan-2-yl)-8-ethyl-1-methyl-purine-2,6-dione Openeye Name: 3-(2,4-dichlorophenyl)-8-ethyl-7-[2-methoxy-1-(methoxymethyl)ethyl]-1-methyl-purine-2,6-dione CAS Name: 3-(2,4-dichlorophenyl)-7-(1,3-dimethoxypropan-2-yl)-8-ethyl-1-methylpurine-2,6-dione IUPAC Name: 3-(2,4-dichlorophenyl)-7-(1,3-dimethoxypropan-2-yl)-8-ethyl-1-methylpurine-2,6-dione Traditional Name: 3-(2,4-dichlorophenyl)-8-ethyl-7-[2-methoxy-1-(methoxymethyl)ethyl]-1-methyl-xanthine Formula: C19H22Cl2N4O4 MolecularWeight: 441.30838

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1C(COC)COC)C(=O)N(C(=O)N2C3=C(C=C(C=C3)Cl)Cl)C

Isomeric SMILES

CCC1=NC2=C(N1C(COC)COC)C(=O)N(C(=O)N2C3=C(C=C(C=C3)Cl)Cl)C

InChI

InChI=1S/C19H22Cl2N4O4/c1-5-15-22-17-16(24(15)12(9-28-3)10-29-4)18(26)23(2)19(27)25(17)14-7-6-11(20)8-13(14)21/h6-8,12H,5,9-10H2,1-4H3