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

Systemtic Name: 8-bromanyl-7-dodecyl-3-methyl-purine-2,6-dione Openeye Name: 8-bromo-7-dodecyl-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-dodecyl-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-dodecyl-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-lauryl-3-methyl-xanthine Formula: C18H29BrN4O2 MolecularWeight: 413.35246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=C(N=C1Br)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCN1C2=C(N=C1Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H29BrN4O2/c1-3-4-5-6-7-8-9-10-11-12-13-23-14-15(20-17(23)19)22(2)18(25)21-16(14)24/h3-13H2,1-2H3,(H,21,24,25)