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

Systemtic Name: 8-bromanyl-3-methyl-7-(2-oxidanyl-3-propan-2-yloxy-propyl)purine-2,6-dione Openeye Name: 8-bromo-7-(2-hydroxy-3-isopropoxy-propyl)-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-(2-hydroxy-3-isopropoxy-propyl)-3-methyl-xanthine Formula: C12H17BrN4O4 MolecularWeight: 361.19178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17BrN4O4/c1-6(2)21-5-7(18)4-17-8-9(14-11(17)13)16(3)12(20)15-10(8)19/h6-7,18H,4-5H2,1-3H3,(H,15,19,20)