8-bromanyl-3-methyl-7-tetradecyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-3-methyl-7-tetradecyl-purine-2,6-dione Openeye Name: 8-bromo-3-methyl-7-tetradecyl-purine-2,6-dione CAS Name: 8-bromo-3-methyl-7-tetradecylpurine-2,6-dione IUPAC Name: 8-bromo-3-methyl-7-tetradecylpurine-2,6-dione Traditional Name: 8-bromo-3-methyl-7-myristyl-xanthine Formula: C20H33BrN4O2 MolecularWeight: 441.40562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCN1C2=C(N=C1Br)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCCCN1C2=C(N=C1Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C20H33BrN4O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-25-16-17(22-19(25)21)24(2)20(27)23-18(16)26/h3-15H2,1-2H3,(H,23,26,27)