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

Systemtic Name: 3-methyl-7-(2-methylpropyl)-8-[(2R)-3-oxidanylidenebutan-2-yl]sulfanyl-purine-2,6-dione Openeye Name: 7-isobutyl-3-methyl-8-[(1R)-1-methyl-2-oxo-propyl]sulfanyl-purine-2,6-dione CAS Name: 3-methyl-7-(2-methylpropyl)-8-[[(2R)-3-oxobutan-2-yl]thio]purine-2,6-dione IUPAC Name: 3-methyl-7-(2-methylpropyl)-8-[(2R)-3-oxobutan-2-yl]sulfanylpurine-2,6-dione Traditional Name: 7-isobutyl-8-[[(1R)-2-keto-1-methyl-propyl]thio]-3-methyl-xanthine Formula: C14H20N4O3S MolecularWeight: 324.3986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1SC(C)C(=O)C)N(C(=O)NC2=O)C

Isomeric SMILES

C[C@H](C(=O)C)SC1=NC2=C(N1CC(C)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C14H20N4O3S/c1-7(2)6-18-10-11(17(5)13(21)16-12(10)20)15-14(18)22-9(4)8(3)19/h7,9H,6H2,1-5H3,(H,16,20,21)/t9-/m1/s1