8-decylsulfanyl-3-methyl-7-pentyl-purine-2,6-dione

Systemtic Name: 8-decylsulfanyl-3-methyl-7-pentyl-purine-2,6-dione Openeye Name: 8-decylsulfanyl-3-methyl-7-pentyl-purine-2,6-dione CAS Name: 8-(decylthio)-3-methyl-7-pentylpurine-2,6-dione IUPAC Name: 8-decylsulfanyl-3-methyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-(decylthio)-3-methyl-xanthine Formula: C21H36N4O2S MolecularWeight: 408.60114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=NC2=C(N1CCCCC)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCCCCSC1=NC2=C(N1CCCCC)C(=O)NC(=O)N2C

InChI

InChI=1S/C21H36N4O2S/c1-4-6-8-9-10-11-12-14-16-28-21-22-18-17(25(21)15-13-7-5-2)19(26)23-20(27)24(18)3/h4-16H2,1-3H3,(H,23,26,27)