8-bromanyl-3,7-dimethyl-1-propan-2-yl-purine-2,6-dione

Systemtic Name: 8-bromanyl-3,7-dimethyl-1-propan-2-yl-purine-2,6-dione Openeye Name: 8-bromo-1-isopropyl-3,7-dimethyl-purine-2,6-dione CAS Name: 8-bromo-3,7-dimethyl-1-propan-2-ylpurine-2,6-dione IUPAC Name: 8-bromo-3,7-dimethyl-1-propan-2-ylpurine-2,6-dione Traditional Name: 8-bromo-1-isopropyl-3,7-dimethyl-xanthine Formula: C10H13BrN4O2 MolecularWeight: 301.13982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=C(N=C(N2C)Br)N(C1=O)C

Isomeric SMILES

CC(C)N1C(=O)C2=C(N=C(N2C)Br)N(C1=O)C

InChI

InChI=1S/C10H13BrN4O2/c1-5(2)15-8(16)6-7(14(4)10(15)17)12-9(11)13(6)3/h5H,1-4H3