8-bromanyl-3-methyl-7-(2-oxidanylidenepropyl)purine-2,6-dione

Systemtic Name: 8-bromanyl-3-methyl-7-(2-oxidanylidenepropyl)purine-2,6-dione Openeye Name: 7-acetonyl-8-bromo-3-methyl-purine-2,6-dione CAS Name: 8-bromo-3-methyl-7-(2-oxopropyl)purine-2,6-dione IUPAC Name: 8-bromo-3-methyl-7-(2-oxopropyl)purine-2,6-dione Traditional Name: 7-acetonyl-8-bromo-3-methyl-xanthine Formula: C9H9BrN4O3 MolecularWeight: 301.09676

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C2=C(N=C1Br)N(C(=O)NC2=O)C

Isomeric SMILES

CC(=O)CN1C2=C(N=C1Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C9H9BrN4O3/c1-4(15)3-14-5-6(11-8(14)10)13(2)9(17)12-7(5)16/h3H2,1-2H3,(H,12,16,17)