7-ethyl-1,3-dimethyl-8-(3-oxidanylidenebutan-2-ylsulfanyl)purine-2,6-dione

Systemtic Name: 7-ethyl-1,3-dimethyl-8-(3-oxidanylidenebutan-2-ylsulfanyl)purine-2,6-dione Openeye Name: 7-ethyl-1,3-dimethyl-8-(1-methyl-2-oxo-propyl)sulfanyl-purine-2,6-dione CAS Name: 7-ethyl-1,3-dimethyl-8-(3-oxobutan-2-ylthio)purine-2,6-dione IUPAC Name: 7-ethyl-1,3-dimethyl-8-(3-oxobutan-2-ylsulfanyl)purine-2,6-dione Traditional Name: 7-ethyl-8-[(2-keto-1-methyl-propyl)thio]-1,3-dimethyl-xanthine Formula: C13H18N4O3S MolecularWeight: 310.37202

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SC(C)C(=O)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SC(C)C(=O)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C13H18N4O3S/c1-6-17-9-10(14-12(17)21-8(3)7(2)18)15(4)13(20)16(5)11(9)19/h8H,6H2,1-5H3