1,3-dimethyl-7-oxidanyl-8-phenyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-oxidanyl-8-phenyl-purine-2,6-dione Openeye Name: 7-hydroxy-1,3-dimethyl-8-phenyl-purine-2,6-dione CAS Name: 7-hydroxy-1,3-dimethyl-8-phenylpurine-2,6-dione IUPAC Name: 7-hydroxy-1,3-dimethyl-8-phenylpurine-2,6-dione Traditional Name: 7-hydroxy-1,3-dimethyl-8-phenyl-xanthine Formula: C13H12N4O3 MolecularWeight: 272.25938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O3/c1-15-11-9(12(18)16(2)13(15)19)17(20)10(14-11)8-6-4-3-5-7-8/h3-7,20H,1-2H3