1,3,7-trimethyl-8-pentylsulfanyl-purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-pentylsulfanyl-purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-pentylsulfanyl-purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-(pentylthio)purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-pentylsulfanylpurine-2,6-dione Traditional Name: 8-(amylthio)-1,3,7-trimethyl-xanthine Formula: C13H20N4O2S MolecularWeight: 296.3885

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCCSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C13H20N4O2S/c1-5-6-7-8-20-12-14-10-9(15(12)2)11(18)17(4)13(19)16(10)3/h5-8H2,1-4H3