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

Systemtic Name: 8-bromanyl-1-ethyl-3-methyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-bromo-1-ethyl-7-isopropyl-3-methyl-purine-2,6-dione CAS Name: 8-bromo-1-ethyl-3-methyl-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-bromo-1-ethyl-3-methyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-bromo-1-ethyl-7-isopropyl-3-methyl-xanthine Formula: C11H15BrN4O2 MolecularWeight: 315.1664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2C(C)C)Br)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2C(C)C)Br)N(C1=O)C

InChI

InChI=1S/C11H15BrN4O2/c1-5-15-9(17)7-8(14(4)11(15)18)13-10(12)16(7)6(2)3/h6H,5H2,1-4H3