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

Systemtic Name: 1-methyl-8-(5-pentyl-1,2,4-oxadiazol-3-yl)purine-2,6-dione Openeye Name: 1-methyl-8-(5-pentyl-1,2,4-oxadiazol-3-yl)purine-2,6-dione CAS Name: 1-methyl-8-(5-pentyl-1,2,4-oxadiazol-3-yl)purine-2,6-dione IUPAC Name: 1-methyl-8-(5-pentyl-1,2,4-oxadiazol-3-yl)purine-2,6-dione Traditional Name: 8-(5-amyl-1,2,4-oxadiazol-3-yl)-1-methyl-xanthine Formula: C13H14N6O3 MolecularWeight: 302.28866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC(=NO1)C2=NC3=NC(=O)N(C(=O)C3=N2)C

Isomeric SMILES

CCCCCC1=NC(=NO1)C2=NC3=NC(=O)N(C(=O)C3=N2)C

InChI

InChI=1S/C13H14N6O3/c1-3-4-5-6-7-14-11(18-22-7)10-15-8-9(16-10)17-13(21)19(2)12(8)20/h3-6H2,1-2H3