8-bromanyl-7-[(2R)-3-chloranyl-2-methyl-propyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-7-[(2R)-3-chloranyl-2-methyl-propyl]-3-methyl-purine-2,6-dione Openeye Name: 8-bromo-7-[(2R)-3-chloro-2-methyl-propyl]-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-[(2R)-3-chloro-2-methylpropyl]-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-[(2R)-3-chloro-2-methylpropyl]-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-[(2R)-3-chloro-2-methyl-propyl]-3-methyl-xanthine Formula: C10H12BrClN4O2 MolecularWeight: 335.58488

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(N=C1Br)N(C(=O)NC2=O)C)CCl

Isomeric SMILES

C[C@H](CN1C2=C(N=C1Br)N(C(=O)NC2=O)C)CCl

InChI

InChI=1S/C10H12BrClN4O2/c1-5(3-12)4-16-6-7(13-9(16)11)15(2)10(18)14-8(6)17/h5H,3-4H2,1-2H3,(H,14,17,18)/t5-/m0/s1