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

Systemtic Name: 7-ethyl-1,3-dimethyl-8-phenyl-purine-2,6-dione; N-ethylethanamine; hydrochloride Openeye Name: 7-ethyl-1,3-dimethyl-8-phenyl-purine-2,6-dione; N-ethylethanamine; hydrochloride CAS Name: 7-ethyl-1,3-dimethyl-8-phenylpurine-2,6-dione; N-ethylethanamine; hydrochloride IUPAC Name: 7-ethyl-1,3-dimethyl-8-phenylpurine-2,6-dione; N-ethylethanamine; hydrochloride Traditional Name: diethylamine; 7-ethyl-1,3-dimethyl-8-phenyl-xanthine; hydrochloride Formula: C19H28ClN5O2 MolecularWeight: 393.91092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O2.C4H11N.ClH/c1-4-19-11-13(17(2)15(21)18(3)14(11)20)16-12(19)10-8-6-5-7-9-10;1-3-5-4-2;/h5-9H,4H2,1-3H3;5H,3-4H2,1-2H3;1H