7-(2-methoxyethyl)-3-methyl-8-[(2R)-3-oxidanylidenebutan-2-yl]sulfanyl-purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-3-methyl-8-[(2R)-3-oxidanylidenebutan-2-yl]sulfanyl-purine-2,6-dione Openeye Name: 7-(2-methoxyethyl)-3-methyl-8-[(1R)-1-methyl-2-oxo-propyl]sulfanyl-purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-methyl-8-[[(2R)-3-oxobutan-2-yl]thio]purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-3-methyl-8-[(2R)-3-oxobutan-2-yl]sulfanylpurine-2,6-dione Traditional Name: 8-[[(1R)-2-keto-1-methyl-propyl]thio]-7-(2-methoxyethyl)-3-methyl-xanthine Formula: C13H18N4O4S MolecularWeight: 326.37142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)SC1=NC2=C(N1CCOC)C(=O)NC(=O)N2C

Isomeric SMILES

C[C@H](C(=O)C)SC1=NC2=C(N1CCOC)C(=O)NC(=O)N2C

InChI

InChI=1S/C13H18N4O4S/c1-7(18)8(2)22-13-14-10-9(17(13)5-6-21-4)11(19)15-12(20)16(10)3/h8H,5-6H2,1-4H3,(H,15,19,20)/t8-/m1/s1