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

Systemtic Name: 8-bromanyl-7-hexadecyl-3-methyl-purine-2,6-dione Openeye Name: 8-bromo-7-hexadecyl-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-hexadecyl-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-hexadecyl-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-cetyl-3-methyl-xanthine Formula: C22H37BrN4O2 MolecularWeight: 469.45878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=C(N=C1Br)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=C(N=C1Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C22H37BrN4O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27-18-19(24-21(27)23)26(2)22(29)25-20(18)28/h3-17H2,1-2H3,(H,25,28,29)