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

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

CCCC(C1CC1)N2C(=NC3=C2C(=O)N(C(=O)N3C4=C(C=C(C=C4)Cl)Cl)C)CC

Isomeric SMILES

CCCC(C1CC1)N2C(=NC3=C2C(=O)N(C(=O)N3C4=C(C=C(C=C4)Cl)Cl)C)CC

InChI

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