1,3-dimethyl-8-(3-oxidanylpropylamino)-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(3-oxidanylpropylamino)-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-(3-hydroxypropylamino)-7-isopropyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(3-hydroxypropylamino)-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-(3-hydroxypropylamino)-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-(3-hydroxypropylamino)-7-isopropyl-1,3-dimethyl-xanthine Formula: C13H21N5O3 MolecularWeight: 295.33754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1NCCCO)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2=C(N=C1NCCCO)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C13H21N5O3/c1-8(2)18-9-10(15-12(18)14-6-5-7-19)16(3)13(21)17(4)11(9)20/h8,19H,5-7H2,1-4H3,(H,14,15)