7-ethyl-1,3-dimethyl-8-(4-methylphenyl)purine-2,6-dione; N-ethylethanamine; hydrochloride

Systemtic Name: 7-ethyl-1,3-dimethyl-8-(4-methylphenyl)purine-2,6-dione; N-ethylethanamine; hydrochloride Openeye Name: 7-ethyl-1,3-dimethyl-8-(p-tolyl)purine-2,6-dione; N-ethylethanamine; hydrochloride CAS Name: 7-ethyl-1,3-dimethyl-8-(4-methylphenyl)purine-2,6-dione; N-ethylethanamine; hydrochloride IUPAC Name: 7-ethyl-1,3-dimethyl-8-(4-methylphenyl)purine-2,6-dione; N-ethylethanamine; hydrochloride Traditional Name: diethylamine; 7-ethyl-1,3-dimethyl-8-(p-tolyl)xanthine; hydrochloride Formula: C20H30ClN5O2 MolecularWeight: 407.9375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O2.C4H11N.ClH/c1-5-20-12-14(18(3)16(22)19(4)15(12)21)17-13(20)11-8-6-10(2)7-9-11;1-3-5-4-2;/h6-9H,5H2,1-4H3;5H,3-4H2,1-2H3;1H