7-butyl-8-ethyl-1,3-dimethyl-purine-2,6-dione; N-methylmethanamine

Systemtic Name: 7-butyl-8-ethyl-1,3-dimethyl-purine-2,6-dione; N-methylmethanamine Openeye Name: 7-butyl-8-ethyl-1,3-dimethyl-purine-2,6-dione; N-methylmethanamine CAS Name: 7-butyl-8-ethyl-1,3-dimethylpurine-2,6-dione; N-methylmethanamine IUPAC Name: 7-butyl-8-ethyl-1,3-dimethylpurine-2,6-dione; N-methylmethanamine Traditional Name: 7-butyl-8-ethyl-1,3-dimethyl-xanthine; dimethylamine Formula: C15H27N5O2 MolecularWeight: 309.40718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N4O2.C2H7N/c1-5-7-8-17-9(6-2)14-11-10(17)12(18)16(4)13(19)15(11)3;1-3-2/h5-8H2,1-4H3;3H,1-2H3