8-(2-hydroxyethylamino)-1,3-dimethyl-7-(2-oxidanyl-2-phenyl-ethyl)purine-2,6-dione

Systemtic Name: 8-(2-hydroxyethylamino)-1,3-dimethyl-7-(2-oxidanyl-2-phenyl-ethyl)purine-2,6-dione Openeye Name: 8-(2-hydroxyethylamino)-7-(2-hydroxy-2-phenyl-ethyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(2-hydroxyethylamino)-7-(2-hydroxy-2-phenylethyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(2-hydroxyethylamino)-7-(2-hydroxy-2-phenylethyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(2-hydroxyethylamino)-7-(2-hydroxy-2-phenyl-ethyl)-1,3-dimethyl-xanthine Formula: C17H21N5O4 MolecularWeight: 359.37974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCO)CC(C3=CC=CC=C3)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCO)CC(C3=CC=CC=C3)O

InChI

InChI=1S/C17H21N5O4/c1-20-14-13(15(25)21(2)17(20)26)22(16(19-14)18-8-9-23)10-12(24)11-6-4-3-5-7-11/h3-7,12,23-24H,8-10H2,1-2H3,(H,18,19)