7-[[2-(bromomethyl)-1,3-dioxolan-4-yl]methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[[2-(bromomethyl)-1,3-dioxolan-4-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[[2-(bromomethyl)-1,3-dioxolan-4-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[[2-(bromomethyl)-1,3-dioxolan-4-yl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[[2-(bromomethyl)-1,3-dioxolan-4-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[[2-(bromomethyl)-1,3-dioxolan-4-yl]methyl]-1,3-dimethyl-xanthine Formula: C12H15BrN4O4 MolecularWeight: 359.1759

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3COC(O3)CBr

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3COC(O3)CBr

InChI

InChI=1S/C12H15BrN4O4/c1-15-10-9(11(18)16(2)12(15)19)17(6-14-10)4-7-5-20-8(3-13)21-7/h6-8H,3-5H2,1-2H3