8-(tert-butylsulfanylmethyl)-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-(tert-butylsulfanylmethyl)-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-(tert-butylsulfanylmethyl)-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[(tert-butylthio)methyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-(tert-butylsulfanylmethyl)-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[(tert-butylthio)methyl]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C12H18N4O2S MolecularWeight: 282.36192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC1=NC2=C(N1)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)(C)SCC1=NC2=C(N1)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C12H18N4O2S/c1-12(2,3)19-6-7-13-8-9(14-7)15(4)11(18)16(5)10(8)17/h6H2,1-5H3,(H,13,14)