7-hexyl-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione

Systemtic Name: 7-hexyl-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 7-hexyl-1,3-dimethyl-8-thioxo-9H-purine-2,6-dione CAS Name: 7-hexyl-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 7-hexyl-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 7-hexyl-1,3-dimethyl-8-thioxo-9H-purine-2,6-quinone Formula: C13H20N4O2S MolecularWeight: 296.3885

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(NC1=S)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCN1C2=C(NC1=S)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C13H20N4O2S/c1-4-5-6-7-8-17-9-10(14-12(17)20)15(2)13(19)16(3)11(9)18/h4-8H2,1-3H3,(H,14,20)