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

Systemtic Name: 7-ethyl-1,3-dimethyl-8-(1-phenylethyl)purine-2,6-dione; N-ethylethanamine; hydrochloride Openeye Name: 7-ethyl-1,3-dimethyl-8-(1-phenylethyl)purine-2,6-dione; N-ethylethanamine; hydrochloride CAS Name: 7-ethyl-1,3-dimethyl-8-(1-phenylethyl)purine-2,6-dione; N-ethylethanamine; hydrochloride IUPAC Name: 7-ethyl-1,3-dimethyl-8-(1-phenylethyl)purine-2,6-dione; N-ethylethanamine; hydrochloride Traditional Name: diethylamine; 7-ethyl-1,3-dimethyl-8-(1-phenylethyl)xanthine; hydrochloride Formula: C21H32ClN5O2 MolecularWeight: 421.96408

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.CCN1C2=C(N=C1C(C)C3=CC=CC=C3)N(C(=O)N(C2=O)C)C.Cl

Isomeric SMILES

CCNCC.CCN1C2=C(N=C1C(C)C3=CC=CC=C3)N(C(=O)N(C2=O)C)C.Cl

InChI

InChI=1S/C17H20N4O2.C4H11N.ClH/c1-5-21-13-15(19(3)17(23)20(4)16(13)22)18-14(21)11(2)12-9-7-6-8-10-12;1-3-5-4-2;/h6-11H,5H2,1-4H3;5H,3-4H2,1-2H3;1H