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

Systemtic Name: 8-bromanyl-3-methyl-7-pentyl-purine-2,6-dione Openeye Name: 8-bromo-3-methyl-7-pentyl-purine-2,6-dione CAS Name: 8-bromo-3-methyl-7-pentylpurine-2,6-dione IUPAC Name: 8-bromo-3-methyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-bromo-3-methyl-xanthine Formula: C11H15BrN4O2 MolecularWeight: 315.1664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1Br)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C11H15BrN4O2/c1-3-4-5-6-16-7-8(13-10(16)12)15(2)11(18)14-9(7)17/h3-6H2,1-2H3,(H,14,17,18)