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

Systemtic Name: 3-(2,4-dichlorophenyl)-7-(dicyclopropylmethyl)-8-ethyl-1-methyl-purine-2,6-dione Openeye Name: 3-(2,4-dichlorophenyl)-7-(dicyclopropylmethyl)-8-ethyl-1-methyl-purine-2,6-dione CAS Name: 3-(2,4-dichlorophenyl)-7-(dicyclopropylmethyl)-8-ethyl-1-methylpurine-2,6-dione IUPAC Name: 3-(2,4-dichlorophenyl)-7-(dicyclopropylmethyl)-8-ethyl-1-methylpurine-2,6-dione Traditional Name: 3-(2,4-dichlorophenyl)-7-(dicyclopropylmethyl)-8-ethyl-1-methyl-xanthine Formula: C21H22Cl2N4O2 MolecularWeight: 433.33098

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1C(C3CC3)C4CC4)C(=O)N(C(=O)N2C5=C(C=C(C=C5)Cl)Cl)C

Isomeric SMILES

CCC1=NC2=C(N1C(C3CC3)C4CC4)C(=O)N(C(=O)N2C5=C(C=C(C=C5)Cl)Cl)C

InChI

InChI=1S/C21H22Cl2N4O2/c1-3-16-24-19-18(27(16)17(11-4-5-11)12-6-7-12)20(28)25(2)21(29)26(19)15-9-8-13(22)10-14(15)23/h8-12,17H,3-7H2,1-2H3