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

Systemtic Name: 8-(3,4-dichlorophenyl)-7-ethyl-1,3-dimethyl-purine-2,6-dione; N-ethylethanamine Openeye Name: 8-(3,4-dichlorophenyl)-7-ethyl-1,3-dimethyl-purine-2,6-dione; N-ethylethanamine CAS Name: 8-(3,4-dichlorophenyl)-7-ethyl-1,3-dimethylpurine-2,6-dione; N-ethylethanamine IUPAC Name: 8-(3,4-dichlorophenyl)-7-ethyl-1,3-dimethylpurine-2,6-dione; N-ethylethanamine Traditional Name: 8-(3,4-dichlorophenyl)-7-ethyl-1,3-dimethyl-xanthine; diethylamine Formula: C19H25Cl2N5O2 MolecularWeight: 426.3401

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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

Isomeric SMILES

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

InChI

InChI=1S/C15H14Cl2N4O2.C4H11N/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