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

Systemtic Name: 3-methyl-7-(5-oxidanylhexyl)-1-prop-2-enyl-purine-2,6-dione Openeye Name: 1-allyl-7-(5-hydroxyhexyl)-3-methyl-purine-2,6-dione CAS Name: 7-(5-hydroxyhexyl)-3-methyl-1-prop-2-enylpurine-2,6-dione IUPAC Name: 7-(5-hydroxyhexyl)-3-methyl-1-prop-2-enylpurine-2,6-dione Traditional Name: 1-allyl-7-(5-hydroxyhexyl)-3-methyl-xanthine Formula: C15H22N4O3 MolecularWeight: 306.36018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CC=C)O

Isomeric SMILES

CC(CCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CC=C)O

InChI

InChI=1S/C15H22N4O3/c1-4-8-19-14(21)12-13(17(3)15(19)22)16-10-18(12)9-6-5-7-11(2)20/h4,10-11,20H,1,5-9H2,2-3H3