3,7-dimethyl-1-undecyl-purine-2,6-dione; octan-1-amine

Systemtic Name: 3,7-dimethyl-1-undecyl-purine-2,6-dione; octan-1-amine Openeye Name: 3,7-dimethyl-1-undecyl-purine-2,6-dione; octan-1-amine CAS Name: 3,7-dimethyl-1-undecylpurine-2,6-dione; 1-octanamine IUPAC Name: 3,7-dimethyl-1-undecylpurine-2,6-dione; octan-1-amine Traditional Name: 3,7-dimethyl-1-undecyl-xanthine; octylamine Formula: C26H49N5O2 MolecularWeight: 463.69956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C.CCCCCCCCN

Isomeric SMILES

CCCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C.CCCCCCCCN

InChI

InChI=1S/C18H30N4O2.C8H19N/c1-4-5-6-7-8-9-10-11-12-13-22-17(23)15-16(19-14-20(15)2)21(3)18(22)24;1-2-3-4-5-6-7-8-9/h14H,4-13H2,1-3H3;2-9H2,1H3