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

Systemtic Name: 3-methyl-8-(3-oxidanylpropylamino)-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-(3-hydroxypropylamino)-7-isopropyl-3-methyl-purine-2,6-dione CAS Name: 8-(3-hydroxypropylamino)-3-methyl-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-(3-hydroxypropylamino)-3-methyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-(3-hydroxypropylamino)-7-isopropyl-3-methyl-xanthine Formula: C12H19N5O3 MolecularWeight: 281.31096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1NCCCO)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)N1C2=C(N=C1NCCCO)N(C(=O)NC2=O)C

InChI

InChI=1S/C12H19N5O3/c1-7(2)17-8-9(14-11(17)13-5-4-6-18)16(3)12(20)15-10(8)19/h7,18H,4-6H2,1-3H3,(H,13,14)(H,15,19,20)