8-bromanyl-3,7-dimethyl-1-(5-oxidanylidenehexyl)purine-2,6-dione

Systemtic Name: 8-bromanyl-3,7-dimethyl-1-(5-oxidanylidenehexyl)purine-2,6-dione Openeye Name: 8-bromo-3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione CAS Name: 8-bromo-3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione IUPAC Name: 8-bromo-3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione Traditional Name: 8-bromo-1-(5-ketohexyl)-3,7-dimethyl-xanthine Formula: C13H17BrN4O3 MolecularWeight: 357.20308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCN1C(=O)C2=C(N=C(N2C)Br)N(C1=O)C

Isomeric SMILES

CC(=O)CCCCN1C(=O)C2=C(N=C(N2C)Br)N(C1=O)C

InChI

InChI=1S/C13H17BrN4O3/c1-8(19)6-4-5-7-18-11(20)9-10(17(3)13(18)21)15-12(14)16(9)2/h4-7H2,1-3H3