7-butyl-1,3,8-trimethyl-purine-2,6-dione; N-methylmethanamine; hydrochloride

Systemtic Name: 7-butyl-1,3,8-trimethyl-purine-2,6-dione; N-methylmethanamine; hydrochloride Openeye Name: 7-butyl-1,3,8-trimethyl-purine-2,6-dione; N-methylmethanamine; hydrochloride CAS Name: 7-butyl-1,3,8-trimethylpurine-2,6-dione; N-methylmethanamine; hydrochloride IUPAC Name: 7-butyl-1,3,8-trimethylpurine-2,6-dione; N-methylmethanamine; hydrochloride Traditional Name: 7-butyl-1,3,8-trimethyl-xanthine; dimethylamine; hydrochloride Formula: C14H26ClN5O2 MolecularWeight: 331.84154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C.CNC.Cl

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C.CNC.Cl

InChI

InChI=1S/C12H18N4O2.C2H7N.ClH/c1-5-6-7-16-8(2)13-10-9(16)11(17)15(4)12(18)14(10)3;1-3-2;/h5-7H2,1-4H3;3H,1-2H3;1H