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

Systemtic Name: 7-(1-cyclobutyl-2-methoxy-ethyl)-3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-purine-2,6-dione Openeye Name: 7-(1-cyclobutyl-2-methoxy-ethyl)-3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-purine-2,6-dione CAS Name: 7-(1-cyclobutyl-2-methoxyethyl)-3-(2,4-dichlorophenyl)-8-ethyl-1-methylpurine-2,6-dione IUPAC Name: 7-(1-cyclobutyl-2-methoxyethyl)-3-(2,4-dichlorophenyl)-8-ethyl-1-methylpurine-2,6-dione Traditional Name: 7-(1-cyclobutyl-2-methoxy-ethyl)-3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-xanthine Formula: C21H24Cl2N4O3 MolecularWeight: 451.34626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24Cl2N4O3/c1-4-17-24-19-18(26(17)16(11-30-3)12-6-5-7-12)20(28)25(2)21(29)27(19)15-9-8-13(22)10-14(15)23/h8-10,12,16H,4-7,11H2,1-3H3