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

Systemtic Name: 7-ethyl-1,3-dimethyl-8-(trifluoromethyl)purine-2,6-dione; N-ethylethanamine; hydrochloride Openeye Name: 7-ethyl-1,3-dimethyl-8-(trifluoromethyl)purine-2,6-dione; N-ethylethanamine; hydrochloride CAS Name: 7-ethyl-1,3-dimethyl-8-(trifluoromethyl)purine-2,6-dione; N-ethylethanamine; hydrochloride IUPAC Name: 7-ethyl-1,3-dimethyl-8-(trifluoromethyl)purine-2,6-dione; N-ethylethanamine; hydrochloride Traditional Name: diethylamine; 7-ethyl-1,3-dimethyl-8-(trifluoromethyl)xanthine; hydrochloride Formula: C14H23ClF3N5O2 MolecularWeight: 385.81293

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.CCN1C2=C(N=C1C(F)(F)F)N(C(=O)N(C2=O)C)C.Cl

Isomeric SMILES

CCNCC.CCN1C2=C(N=C1C(F)(F)F)N(C(=O)N(C2=O)C)C.Cl

InChI

InChI=1S/C10H11F3N4O2.C4H11N.ClH/c1-4-17-5-6(14-8(17)10(11,12)13)15(2)9(19)16(3)7(5)18;1-3-5-4-2;/h4H2,1-3H3;5H,3-4H2,1-2H3;1H