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

Systemtic Name: N-butylbutan-1-amine; 7-butyl-8-ethyl-1,3-dimethyl-purine-2,6-dione Openeye Name: N-butylbutan-1-amine; 7-butyl-8-ethyl-1,3-dimethyl-purine-2,6-dione CAS Name: N-butyl-1-butanamine; 7-butyl-8-ethyl-1,3-dimethylpurine-2,6-dione IUPAC Name: N-butylbutan-1-amine; 7-butyl-8-ethyl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-butyl-8-ethyl-1,3-dimethyl-xanthine; dibutylamine Formula: C21H39N5O2 MolecularWeight: 393.56666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N4O2.C8H19N/c1-5-7-8-17-9(6-2)14-11-10(17)12(18)16(4)13(19)15(11)3;1-3-5-7-9-8-6-4-2/h5-8H2,1-4H3;9H,3-8H2,1-2H3