7-(3,3-dimethylbutylsulfanyl)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-(3,3-dimethylbutylsulfanyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-(3,3-dimethylbutylsulfanyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(3,3-dimethylbutylthio)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(3,3-dimethylbutylsulfanyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(3,3-dimethylbutylthio)-1,3-dimethyl-xanthine Formula: C13H20N4O2S MolecularWeight: 296.3885

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCSN1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)(C)CCSN1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C13H20N4O2S/c1-13(2,3)6-7-20-17-8-14-10-9(17)11(18)16(5)12(19)15(10)4/h8H,6-7H2,1-5H3