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

Systemtic Name: 1,3-dimethyl-8-(methylamino)-7-(2-oxidanyl-2-phenyl-ethyl)purine-2,6-dione Openeye Name: 7-(2-hydroxy-2-phenyl-ethyl)-1,3-dimethyl-8-(methylamino)purine-2,6-dione CAS Name: 7-(2-hydroxy-2-phenylethyl)-1,3-dimethyl-8-(methylamino)purine-2,6-dione IUPAC Name: 7-(2-hydroxy-2-phenylethyl)-1,3-dimethyl-8-(methylamino)purine-2,6-dione Traditional Name: 7-(2-hydroxy-2-phenyl-ethyl)-1,3-dimethyl-8-(methylamino)xanthine Formula: C16H19N5O3 MolecularWeight: 329.35376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC2=C(N1CC(C3=CC=CC=C3)O)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CNC1=NC2=C(N1CC(C3=CC=CC=C3)O)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C16H19N5O3/c1-17-15-18-13-12(14(23)20(3)16(24)19(13)2)21(15)9-11(22)10-7-5-4-6-8-10/h4-8,11,22H,9H2,1-3H3,(H,17,18)