7-(2-oxidanylidenepropyl)-3H-purine-2,6-dione

Systemtic Name: 7-(2-oxidanylidenepropyl)-3H-purine-2,6-dione Openeye Name: 7-acetonyl-3H-purine-2,6-dione CAS Name: 7-(2-oxopropyl)-3H-purine-2,6-dione IUPAC Name: 7-(2-oxopropyl)-3H-purine-2,6-dione Traditional Name: 7-acetonylxanthine Formula: C8H8N4O3 MolecularWeight: 208.17412

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C=NC2=C1C(=O)NC(=O)N2

Isomeric SMILES

CC(=O)CN1C=NC2=C1C(=O)NC(=O)N2

InChI

InChI=1S/C8H8N4O3/c1-4(13)2-12-3-9-6-5(12)7(14)11-8(15)10-6/h3H,2H2,1H3,(H2,10,11,14,15)