7-butyl-3-methyl-8-(3-oxidanylpropylamino)purine-2,6-dione

Systemtic Name: 7-butyl-3-methyl-8-(3-oxidanylpropylamino)purine-2,6-dione Openeye Name: 7-butyl-8-(3-hydroxypropylamino)-3-methyl-purine-2,6-dione CAS Name: 7-butyl-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-butyl-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione Traditional Name: 7-butyl-8-(3-hydroxypropylamino)-3-methyl-xanthine Formula: C13H21N5O3 MolecularWeight: 295.33754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1NCCCO)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCN1C2=C(N=C1NCCCO)N(C(=O)NC2=O)C

InChI

InChI=1S/C13H21N5O3/c1-3-4-7-18-9-10(15-12(18)14-6-5-8-19)17(2)13(21)16-11(9)20/h19H,3-8H2,1-2H3,(H,14,15)(H,16,20,21)