1,3,9-trimethyl-8-phenyl-purine-2,6-dione

Systemtic Name: 1,3,9-trimethyl-8-phenyl-purine-2,6-dione Openeye Name: 1,3,9-trimethyl-8-phenyl-purine-2,6-dione CAS Name: 1,3,9-trimethyl-8-phenylpurine-2,6-dione IUPAC Name: 1,3,9-trimethyl-8-phenylpurine-2,6-dione Traditional Name: 1,3,9-trimethyl-8-phenyl-xanthine Formula: C14H14N4O2 MolecularWeight: 270.28656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1C3=CC=CC=C3

InChI

InChI=1S/C14H14N4O2/c1-16-11(9-7-5-4-6-8-9)15-10-12(16)17(2)14(20)18(3)13(10)19/h4-8H,1-3H3