3-butyl-8-(dimethylamino)-1,7-dimethyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-(dimethylamino)-1,7-dimethyl-purine-2,6-dione Openeye Name: 3-butyl-8-(dimethylamino)-1,7-dimethyl-purine-2,6-dione CAS Name: 3-butyl-8-(dimethylamino)-1,7-dimethylpurine-2,6-dione IUPAC Name: 3-butyl-8-(dimethylamino)-1,7-dimethylpurine-2,6-dione Traditional Name: 3-butyl-8-(dimethylamino)-1,7-dimethyl-xanthine Formula: C13H21N5O2 MolecularWeight: 279.33814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(C)C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(C)C)C

InChI

InChI=1S/C13H21N5O2/c1-6-7-8-18-10-9(11(19)17(5)13(18)20)16(4)12(14-10)15(2)3/h6-8H2,1-5H3