8-bromanyl-3-methyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-bromanyl-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-bromo-3-methyl-purine-2,6-dione CAS Name: 8-bromo-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-bromo-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-bromo-3-methyl-xanthine Formula: C13H11BrN4O2 MolecularWeight: 335.15604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C13H11BrN4O2/c1-17-10-9(11(19)16-13(17)20)18(12(14)15-10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,16,19,20)