7-[[5-(2-cyclohexylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[[5-(2-cyclohexylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[[5-(2-cyclohexylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[[5-(2-cyclohexylethylthio)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[[5-(2-cyclohexylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[[5-(2-cyclohexylethylthio)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-xanthine Formula: C18H24N6O3S MolecularWeight: 404.48656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NN=C(O3)SCCC4CCCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NN=C(O3)SCCC4CCCCC4

InChI

InChI=1S/C18H24N6O3S/c1-22-15-14(16(25)23(2)18(22)26)24(11-19-15)10-13-20-21-17(27-13)28-9-8-12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3