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

Systemtic Name: 7-(4-cyclopropylbutyl)-3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-purine-2,6-dione Openeye Name: 7-(4-cyclopropylbutyl)-3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-purine-2,6-dione CAS Name: 7-(4-cyclopropylbutyl)-3-(2,4-dichlorophenyl)-8-ethyl-1-methylpurine-2,6-dione IUPAC Name: 7-(4-cyclopropylbutyl)-3-(2,4-dichlorophenyl)-8-ethyl-1-methylpurine-2,6-dione Traditional Name: 7-(4-cyclopropylbutyl)-3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-xanthine Formula: C21H24Cl2N4O2 MolecularWeight: 435.34686

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1CCCCC3CC3)C(=O)N(C(=O)N2C4=C(C=C(C=C4)Cl)Cl)C

Isomeric SMILES

CCC1=NC2=C(N1CCCCC3CC3)C(=O)N(C(=O)N2C4=C(C=C(C=C4)Cl)Cl)C

InChI

InChI=1S/C21H24Cl2N4O2/c1-3-17-24-19-18(26(17)11-5-4-6-13-7-8-13)20(28)25(2)21(29)27(19)16-10-9-14(22)12-15(16)23/h9-10,12-13H,3-8,11H2,1-2H3