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

Systemtic Name: N-butylbutan-1-amine; 7-butyl-1,3,8-trimethyl-purine-2,6-dione Openeye Name: N-butylbutan-1-amine; 7-butyl-1,3,8-trimethyl-purine-2,6-dione CAS Name: N-butyl-1-butanamine; 7-butyl-1,3,8-trimethylpurine-2,6-dione IUPAC Name: N-butylbutan-1-amine; 7-butyl-1,3,8-trimethylpurine-2,6-dione Traditional Name: 7-butyl-1,3,8-trimethyl-xanthine; dibutylamine Formula: C20H37N5O2 MolecularWeight: 379.54008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4O2.C8H19N/c1-5-6-7-16-8(2)13-10-9(16)11(17)15(4)12(18)14(10)3;1-3-5-7-9-8-6-4-2/h5-7H2,1-4H3;9H,3-8H2,1-2H3