8-cyclohexylsulfanyl-1,3,9-trimethyl-purine-2,6-dione

Systemtic Name: 8-cyclohexylsulfanyl-1,3,9-trimethyl-purine-2,6-dione Openeye Name: 8-cyclohexylsulfanyl-1,3,9-trimethyl-purine-2,6-dione CAS Name: 8-(cyclohexylthio)-1,3,9-trimethylpurine-2,6-dione IUPAC Name: 8-cyclohexylsulfanyl-1,3,9-trimethylpurine-2,6-dione Traditional Name: 8-(cyclohexylthio)-1,3,9-trimethyl-xanthine Formula: C14H20N4O2S MolecularWeight: 308.3992

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SC3CCCCC3

Isomeric SMILES

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SC3CCCCC3

InChI

InChI=1S/C14H20N4O2S/c1-16-11-10(12(19)18(3)14(20)17(11)2)15-13(16)21-9-7-5-4-6-8-9/h9H,4-8H2,1-3H3