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

Systemtic Name: 7-(2-hydroxyethyl)-3-methyl-8-(3-oxidanylpropylamino)purine-2,6-dione Openeye Name: 7-(2-hydroxyethyl)-8-(3-hydroxypropylamino)-3-methyl-purine-2,6-dione CAS Name: 7-(2-hydroxyethyl)-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-(2-hydroxyethyl)-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione Traditional Name: 7-(2-hydroxyethyl)-8-(3-hydroxypropylamino)-3-methyl-xanthine Formula: C11H17N5O4 MolecularWeight: 283.28378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCO)CCO

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCO)CCO

InChI

InChI=1S/C11H17N5O4/c1-15-8-7(9(19)14-11(15)20)16(4-6-18)10(13-8)12-3-2-5-17/h17-18H,2-6H2,1H3,(H,12,13)(H,14,19,20)