8-bromanyl-1,3-dimethyl-7-(2-oxidanyl-3-propan-2-yloxy-propyl)purine-2,6-dione

Systemtic Name: 8-bromanyl-1,3-dimethyl-7-(2-oxidanyl-3-propan-2-yloxy-propyl)purine-2,6-dione Openeye Name: 8-bromo-7-(2-hydroxy-3-isopropoxy-propyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-7-(2-hydroxy-3-propan-2-yloxypropyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-7-(2-hydroxy-3-propan-2-yloxypropyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-7-(2-hydroxy-3-isopropoxy-propyl)-1,3-dimethyl-xanthine Formula: C13H19BrN4O4 MolecularWeight: 375.21836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC(CN1C2=C(N=C1Br)N(C(=O)N(C2=O)C)C)O

Isomeric SMILES

CC(C)OCC(CN1C2=C(N=C1Br)N(C(=O)N(C2=O)C)C)O

InChI

InChI=1S/C13H19BrN4O4/c1-7(2)22-6-8(19)5-18-9-10(15-12(18)14)16(3)13(21)17(4)11(9)20/h7-8,19H,5-6H2,1-4H3