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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=NC(=O)N(C(=O)C2=N1)C3=NOC(=N3)CCl

Isomeric SMILES

CC1=NC2=NC(=O)N(C(=O)C2=N1)C3=NOC(=N3)CCl

InChI

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