7,8-diethyl-1,3-dimethyl-purine-2,6-dione; N-ethylethanamine; hydrochloride

Systemtic Name: 7,8-diethyl-1,3-dimethyl-purine-2,6-dione; N-ethylethanamine; hydrochloride Openeye Name: 7,8-diethyl-1,3-dimethyl-purine-2,6-dione; N-ethylethanamine; hydrochloride CAS Name: 7,8-diethyl-1,3-dimethylpurine-2,6-dione; N-ethylethanamine; hydrochloride IUPAC Name: 7,8-diethyl-1,3-dimethylpurine-2,6-dione; N-ethylethanamine; hydrochloride Traditional Name: diethylamine; 7,8-diethyl-1,3-dimethyl-xanthine; hydrochloride Formula: C15H28ClN5O2 MolecularWeight: 345.86812

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1CC)C(=O)N(C(=O)N2C)C.CCNCC.Cl

Isomeric SMILES

CCC1=NC2=C(N1CC)C(=O)N(C(=O)N2C)C.CCNCC.Cl

InChI

InChI=1S/C11H16N4O2.C4H11N.ClH/c1-5-7-12-9-8(15(7)6-2)10(16)14(4)11(17)13(9)3;1-3-5-4-2;/h5-6H2,1-4H3;5H,3-4H2,1-2H3;1H