8-bromanyl-1,3-dimethyl-7-(3-oxidanylidenebutan-2-yl)purine-2,6-dione

Systemtic Name: 8-bromanyl-1,3-dimethyl-7-(3-oxidanylidenebutan-2-yl)purine-2,6-dione Openeye Name: 8-bromo-1,3-dimethyl-7-(1-methyl-2-oxo-propyl)purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-7-(3-oxobutan-2-yl)purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-7-(3-oxobutan-2-yl)purine-2,6-dione Traditional Name: 8-bromo-7-(2-keto-1-methyl-propyl)-1,3-dimethyl-xanthine Formula: C11H13BrN4O3 MolecularWeight: 329.14992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)N1C2=C(N=C1Br)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C(=O)C)N1C2=C(N=C1Br)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C11H13BrN4O3/c1-5(6(2)17)16-7-8(13-10(16)12)14(3)11(19)15(4)9(7)18/h5H,1-4H3