1-(2-oxidanylidenepropyl)purine-2,6-dione

Systemtic Name: 1-(2-oxidanylidenepropyl)purine-2,6-dione Openeye Name: 1-acetonylpurine-2,6-dione CAS Name: 1-(2-oxopropyl)purine-2,6-dione IUPAC Name: 1-(2-oxopropyl)purine-2,6-dione Traditional Name: 1-acetonylxanthine Formula: C8H6N4O3 MolecularWeight: 206.15824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C(=O)C2=NC=NC2=NC1=O

Isomeric SMILES

CC(=O)CN1C(=O)C2=NC=NC2=NC1=O

InChI

InChI=1S/C8H6N4O3/c1-4(13)2-12-7(14)5-6(10-3-9-5)11-8(12)15/h3H,2H2,1H3