1-ethyl-3-methyl-7-(5-oxidanylhexyl)purine-2,6-dione

Systemtic Name: 1-ethyl-3-methyl-7-(5-oxidanylhexyl)purine-2,6-dione Openeye Name: 1-ethyl-7-(5-hydroxyhexyl)-3-methyl-purine-2,6-dione CAS Name: 1-ethyl-7-(5-hydroxyhexyl)-3-methylpurine-2,6-dione IUPAC Name: 1-ethyl-7-(5-hydroxyhexyl)-3-methylpurine-2,6-dione Traditional Name: 1-ethyl-7-(5-hydroxyhexyl)-3-methyl-xanthine Formula: C14H22N4O3 MolecularWeight: 294.34948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=CN2CCCCC(C)O)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=CN2CCCCC(C)O)N(C1=O)C

InChI

InChI=1S/C14H22N4O3/c1-4-18-13(20)11-12(16(3)14(18)21)15-9-17(11)8-6-5-7-10(2)19/h9-10,19H,4-8H2,1-3H3