6-heptyl-1,7-dihydropurine-2-thione

Systemtic Name: 6-heptyl-1,7-dihydropurine-2-thione Openeye Name: 6-heptyl-1,7-dihydropurine-2-thione CAS Name: 6-heptyl-1,7-dihydropurine-2-thione IUPAC Name: 6-heptyl-1,7-dihydropurine-2-thione Traditional Name: 6-heptyl-1,7-dihydropurine-2-thione Formula: C12H18N4S MolecularWeight: 250.36312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C2C(=NC(=S)N1)N=CN2

Isomeric SMILES

CCCCCCCC1=C2C(=NC(=S)N1)N=CN2

InChI

InChI=1S/C12H18N4S/c1-2-3-4-5-6-7-9-10-11(14-8-13-10)16-12(17)15-9/h8H,2-7H2,1H3,(H2,13,14,15,16,17)