7-ethyl-1,3,8-trimethyl-purine-2,6-dione; N-phenethyl-2-phenyl-ethanamine; hydrochloride

Systemtic Name: 7-ethyl-1,3,8-trimethyl-purine-2,6-dione; N-phenethyl-2-phenyl-ethanamine; hydrochloride Openeye Name: 7-ethyl-1,3,8-trimethyl-purine-2,6-dione; N-phenethyl-2-phenyl-ethanamine; hydrochloride CAS Name: 7-ethyl-1,3,8-trimethylpurine-2,6-dione; N-phenethyl-2-phenylethanamine; hydrochloride IUPAC Name: 7-ethyl-1,3,8-trimethylpurine-2,6-dione; N-phenethyl-2-phenylethanamine; hydrochloride Traditional Name: diphenethylamine; 7-ethyl-1,3,8-trimethyl-xanthine; hydrochloride Formula: C26H34ClN5O2 MolecularWeight: 484.03346

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C.C1=CC=C(C=C1)CCNCCC2=CC=CC=C2.Cl

Isomeric SMILES

CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C.C1=CC=C(C=C1)CCNCCC2=CC=CC=C2.Cl

InChI

InChI=1S/C16H19N.C10H14N4O2.ClH/c1-3-7-15(8-4-1)11-13-17-14-12-16-9-5-2-6-10-16;1-5-14-6(2)11-8-7(14)9(15)13(4)10(16)12(8)3;/h1-10,17H,11-14H2;5H2,1-4H3;1H