1-hexyl-3,7-dimethyl-purine-2,6-dione; N-methylmethanamine

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C.CNC

Isomeric SMILES

CCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C.CNC

InChI

InChI=1S/C13H20N4O2.C2H7N/c1-4-5-6-7-8-17-12(18)10-11(14-9-15(10)2)16(3)13(17)19;1-3-2/h9H,4-8H2,1-3H3;3H,1-2H3