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

Systemtic Name: 8-bromanyl-3-methyl-7-(3-oxidanylidenebutan-2-yl)purine-2,6-dione Openeye Name: 8-bromo-3-methyl-7-(1-methyl-2-oxo-propyl)purine-2,6-dione CAS Name: 8-bromo-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione IUPAC Name: 8-bromo-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione Traditional Name: 8-bromo-7-(2-keto-1-methyl-propyl)-3-methyl-xanthine Formula: C10H11BrN4O3 MolecularWeight: 315.12334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)N1C2=C(N=C1Br)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C(=O)C)N1C2=C(N=C1Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C10H11BrN4O3/c1-4(5(2)16)15-6-7(12-9(15)11)14(3)10(18)13-8(6)17/h4H,1-3H3,(H,13,17,18)