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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NO1)C2=NC3=NC(=O)N(C(=O)C3=N2)C

Isomeric SMILES

CCCCC1=NC(=NO1)C2=NC3=NC(=O)N(C(=O)C3=N2)C

InChI

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