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

Systemtic Name: 3-(2,4-dichlorophenyl)-8-ethyl-7-heptan-3-yl-1-methyl-purine-2,6-dione Openeye Name: 3-(2,4-dichlorophenyl)-8-ethyl-7-(1-ethylpentyl)-1-methyl-purine-2,6-dione CAS Name: 3-(2,4-dichlorophenyl)-8-ethyl-7-heptan-3-yl-1-methylpurine-2,6-dione IUPAC Name: 3-(2,4-dichlorophenyl)-8-ethyl-7-heptan-3-yl-1-methylpurine-2,6-dione Traditional Name: 3-(2,4-dichlorophenyl)-8-ethyl-7-(1-ethylpentyl)-1-methyl-xanthine Formula: C21H26Cl2N4O2 MolecularWeight: 437.36274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26Cl2N4O2/c1-5-8-9-14(6-2)26-17(7-3)24-19-18(26)20(28)25(4)21(29)27(19)16-11-10-13(22)12-15(16)23/h10-12,14H,5-9H2,1-4H3