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

Systemtic Name: 8-(4-chlorophenyl)-7-ethyl-1,3-dimethyl-purine-2,6-dione; N-ethylethanamine; hydrochloride Openeye Name: 8-(4-chlorophenyl)-7-ethyl-1,3-dimethyl-purine-2,6-dione; N-ethylethanamine; hydrochloride CAS Name: 8-(4-chlorophenyl)-7-ethyl-1,3-dimethylpurine-2,6-dione; N-ethylethanamine; hydrochloride IUPAC Name: 8-(4-chlorophenyl)-7-ethyl-1,3-dimethylpurine-2,6-dione; N-ethylethanamine; hydrochloride Traditional Name: 8-(4-chlorophenyl)-7-ethyl-1,3-dimethyl-xanthine; diethylamine; hydrochloride Formula: C19H27Cl2N5O2 MolecularWeight: 428.35598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClN4O2.C4H11N.ClH/c1-4-20-11-13(18(2)15(22)19(3)14(11)21)17-12(20)9-5-7-10(16)8-6-9;1-3-5-4-2;/h5-8H,4H2,1-3H3;5H,3-4H2,1-2H3;1H