8-(2-oxidanylidenepropyl)-3,7-dihydropurine-2,6-dione

Systemtic Name: 8-(2-oxidanylidenepropyl)-3,7-dihydropurine-2,6-dione Openeye Name: 8-acetonyl-3,7-dihydropurine-2,6-dione CAS Name: 8-(2-oxopropyl)-3,7-dihydropurine-2,6-dione IUPAC Name: 8-(2-oxopropyl)-3,7-dihydropurine-2,6-dione Traditional Name: 8-acetonyl-7H-xanthine Formula: C8H8N4O3 MolecularWeight: 208.17412

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=NC2=C(N1)C(=O)NC(=O)N2

Isomeric SMILES

CC(=O)CC1=NC2=C(N1)C(=O)NC(=O)N2

InChI

InChI=1S/C8H8N4O3/c1-3(13)2-4-9-5-6(10-4)11-8(15)12-7(5)14/h2H2,1H3,(H3,9,10,11,12,14,15)