8-ethyl-1,3-bis(propylsulfanyl)-7H-purine-2,6-dione

Systemtic Name: 8-ethyl-1,3-bis(propylsulfanyl)-7H-purine-2,6-dione Openeye Name: 8-ethyl-1,3-bis(propylsulfanyl)-7H-purine-2,6-dione CAS Name: 8-ethyl-1,3-bis(propylthio)-7H-purine-2,6-dione IUPAC Name: 8-ethyl-1,3-bis(propylsulfanyl)-7H-purine-2,6-dione Traditional Name: 8-ethyl-1,3-bis(propylthio)-7H-purine-2,6-quinone Formula: C13H20N4O2S2 MolecularWeight: 328.4535

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSN1C2=C(C(=O)N(C1=O)SCCC)NC(=N2)CC

Isomeric SMILES

CCCSN1C2=C(C(=O)N(C1=O)SCCC)NC(=N2)CC

InChI

InChI=1S/C13H20N4O2S2/c1-4-7-20-16-11-10(14-9(6-3)15-11)12(18)17(13(16)19)21-8-5-2/h4-8H2,1-3H3,(H,14,15)