1-ethyl-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-ethyl-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-ethyl-3,7-dimethyl-purine-2,6-dione CAS Name: 1-ethyl-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-ethyl-3,7-dimethylpurine-2,6-dione Traditional Name: 1-ethyl-3,7-dimethyl-xanthine Formula: C9H12N4O2 MolecularWeight: 208.21718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=CN2C)N(C1=O)C

InChI

InChI=1S/C9H12N4O2/c1-4-13-8(14)6-7(10-5-11(6)2)12(3)9(13)15/h5H,4H2,1-3H3