8-bromanyl-3-methyl-7-(2-piperidin-1-ylethyl)purine-2,6-dione

Systemtic Name: 8-bromanyl-3-methyl-7-(2-piperidin-1-ylethyl)purine-2,6-dione Openeye Name: 8-bromo-3-methyl-7-[2-(1-piperidyl)ethyl]purine-2,6-dione CAS Name: 8-bromo-3-methyl-7-[2-(1-piperidinyl)ethyl]purine-2,6-dione IUPAC Name: 8-bromo-3-methyl-7-(2-piperidin-1-ylethyl)purine-2,6-dione Traditional Name: 8-bromo-3-methyl-7-(2-piperidinoethyl)xanthine Formula: C13H18BrN5O2 MolecularWeight: 356.21832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCN3CCCCC3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCN3CCCCC3

InChI

InChI=1S/C13H18BrN5O2/c1-17-10-9(11(20)16-13(17)21)19(12(14)15-10)8-7-18-5-3-2-4-6-18/h2-8H2,1H3,(H,16,20,21)