3-methyl-7-pentyl-purine-2,6-dione

Systemtic Name: 3-methyl-7-pentyl-purine-2,6-dione Openeye Name: 3-methyl-7-pentyl-purine-2,6-dione CAS Name: 3-methyl-7-pentylpurine-2,6-dione IUPAC Name: 3-methyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-3-methyl-xanthine Formula: C11H16N4O2 MolecularWeight: 236.27034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NC2=C1C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCN1C=NC2=C1C(=O)NC(=O)N2C

InChI

InChI=1S/C11H16N4O2/c1-3-4-5-6-15-7-12-9-8(15)10(16)13-11(17)14(9)2/h7H,3-6H2,1-2H3,(H,13,16,17)