8-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-1-methyl-purine-2,6-dione

Systemtic Name: 8-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-1-methyl-purine-2,6-dione Openeye Name: 8-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-1-methyl-purine-2,6-dione CAS Name: 8-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-1-methylpurine-2,6-dione IUPAC Name: 8-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-1-methylpurine-2,6-dione Traditional Name: 8-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-1-methyl-xanthine Formula: C9H5ClN6O3 MolecularWeight: 280.6274

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=NC(=NC2=NC1=O)C3=NOC(=N3)CCl

Isomeric SMILES

CN1C(=O)C2=NC(=NC2=NC1=O)C3=NOC(=N3)CCl

InChI

InChI=1S/C9H5ClN6O3/c1-16-8(17)4-5(14-9(16)18)13-6(12-4)7-11-3(2-10)19-15-7/h2H2,1H3