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

Systemtic Name: 8-bromanyl-3-methyl-7-nonyl-purine-2,6-dione Openeye Name: 8-bromo-3-methyl-7-nonyl-purine-2,6-dione CAS Name: 8-bromo-3-methyl-7-nonylpurine-2,6-dione IUPAC Name: 8-bromo-3-methyl-7-nonylpurine-2,6-dione Traditional Name: 8-bromo-3-methyl-7-nonyl-xanthine Formula: C15H23BrN4O2 MolecularWeight: 371.27272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1Br)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C15H23BrN4O2/c1-3-4-5-6-7-8-9-10-20-11-12(17-14(20)16)19(2)15(22)18-13(11)21/h3-10H2,1-2H3,(H,18,21,22)