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

Systemtic Name: 1-(5-butyl-1,2,4-oxadiazol-3-yl)-8-methyl-purine-2,6-dione Openeye Name: 1-(5-butyl-1,2,4-oxadiazol-3-yl)-8-methyl-purine-2,6-dione CAS Name: 1-(5-butyl-1,2,4-oxadiazol-3-yl)-8-methylpurine-2,6-dione IUPAC Name: 1-(5-butyl-1,2,4-oxadiazol-3-yl)-8-methylpurine-2,6-dione Traditional Name: 1-(5-butyl-1,2,4-oxadiazol-3-yl)-8-methyl-xanthine Formula: C12H12N6O3 MolecularWeight: 288.26208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NO1)N2C(=O)C3=NC(=NC3=NC2=O)C

Isomeric SMILES

CCCCC1=NC(=NO1)N2C(=O)C3=NC(=NC3=NC2=O)C

InChI

InChI=1S/C12H12N6O3/c1-3-4-5-7-15-11(17-21-7)18-10(19)8-9(16-12(18)20)14-6(2)13-8/h3-5H2,1-2H3