8-bromanyl-3-methyl-7-(3-oxidanylidenebutan-2-yl)-1-prop-2-enyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-3-methyl-7-(3-oxidanylidenebutan-2-yl)-1-prop-2-enyl-purine-2,6-dione Openeye Name: 1-allyl-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)-1-prop-2-enylpurine-2,6-dione IUPAC Name: 8-bromo-3-methyl-7-(3-oxobutan-2-yl)-1-prop-2-enylpurine-2,6-dione Traditional Name: 1-allyl-8-bromo-7-(2-keto-1-methyl-propyl)-3-methyl-xanthine Formula: C13H15BrN4O3 MolecularWeight: 355.1872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15BrN4O3/c1-5-6-17-11(20)9-10(16(4)13(17)21)15-12(14)18(9)7(2)8(3)19/h5,7H,1,6H2,2-4H3