8-(3,4-dichlorophenyl)-7-ethyl-1,3-dimethyl-purine-2,6-dione; N-ethylethanamine; hydrochloride

Systemtic Name: 8-(3,4-dichlorophenyl)-7-ethyl-1,3-dimethyl-purine-2,6-dione; N-ethylethanamine; hydrochloride Openeye Name: 8-(3,4-dichlorophenyl)-7-ethyl-1,3-dimethyl-purine-2,6-dione; N-ethylethanamine; hydrochloride CAS Name: 8-(3,4-dichlorophenyl)-7-ethyl-1,3-dimethylpurine-2,6-dione; N-ethylethanamine; hydrochloride IUPAC Name: 8-(3,4-dichlorophenyl)-7-ethyl-1,3-dimethylpurine-2,6-dione; N-ethylethanamine; hydrochloride Traditional Name: 8-(3,4-dichlorophenyl)-7-ethyl-1,3-dimethyl-xanthine; diethylamine; hydrochloride Formula: C19H26Cl3N5O2 MolecularWeight: 462.80104

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.CCN1C2=C(N=C1C3=CC(=C(C=C3)Cl)Cl)N(C(=O)N(C2=O)C)C.Cl

Isomeric SMILES

CCNCC.CCN1C2=C(N=C1C3=CC(=C(C=C3)Cl)Cl)N(C(=O)N(C2=O)C)C.Cl

InChI

InChI=1S/C15H14Cl2N4O2.C4H11N.ClH/c1-4-21-11-13(19(2)15(23)20(3)14(11)22)18-12(21)8-5-6-9(16)10(17)7-8;1-3-5-4-2;/h5-7H,4H2,1-3H3;5H,3-4H2,1-2H3;1H