8-bromanyl-3-methyl-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 8-bromanyl-3-methyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-bromo-7-isopropyl-3-methyl-purine-2,6-dione CAS Name: 8-bromo-3-methyl-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-bromo-3-methyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-bromo-7-isopropyl-3-methyl-xanthine Formula: C9H11BrN4O2 MolecularWeight: 287.11324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1Br)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)N1C2=C(N=C1Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C9H11BrN4O2/c1-4(2)14-5-6(11-8(14)10)13(3)9(16)12-7(5)15/h4H,1-3H3,(H,12,15,16)