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

Systemtic Name: 8-bromanyl-3-methyl-1-(2-methylprop-2-enyl)-7-(3-oxidanylidenebutan-2-yl)purine-2,6-dione Openeye Name: 8-bromo-3-methyl-1-(2-methylallyl)-7-(1-methyl-2-oxo-propyl)purine-2,6-dione CAS Name: 8-bromo-3-methyl-1-(2-methylprop-2-enyl)-7-(3-oxobutan-2-yl)purine-2,6-dione IUPAC Name: 8-bromo-3-methyl-1-(2-methylprop-2-enyl)-7-(3-oxobutan-2-yl)purine-2,6-dione Traditional Name: 8-bromo-7-(2-keto-1-methyl-propyl)-3-methyl-1-(2-methylallyl)xanthine Formula: C14H17BrN4O3 MolecularWeight: 369.21378

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C14H17BrN4O3/c1-7(2)6-18-12(21)10-11(17(5)14(18)22)16-13(15)19(10)8(3)9(4)20/h8H,1,6H2,2-5H3