3-ethyl-7-methyl-8-phenyl-purine-2,6-dione

Systemtic Name: 3-ethyl-7-methyl-8-phenyl-purine-2,6-dione Openeye Name: 3-ethyl-7-methyl-8-phenyl-purine-2,6-dione CAS Name: 3-ethyl-7-methyl-8-phenylpurine-2,6-dione IUPAC Name: 3-ethyl-7-methyl-8-phenylpurine-2,6-dione Traditional Name: 3-ethyl-7-methyl-8-phenyl-xanthine Formula: C14H14N4O2 MolecularWeight: 270.28656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=CC=C3)C

Isomeric SMILES

CCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=CC=C3)C

InChI

InChI=1S/C14H14N4O2/c1-3-18-12-10(13(19)16-14(18)20)17(2)11(15-12)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,16,19,20)