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

Systemtic Name: 7-hexyl-3-methyl-8-[(2R)-3-oxidanylidenebutan-2-yl]sulfanyl-purine-2,6-dione Openeye Name: 7-hexyl-3-methyl-8-[(1R)-1-methyl-2-oxo-propyl]sulfanyl-purine-2,6-dione CAS Name: 7-hexyl-3-methyl-8-[[(2R)-3-oxobutan-2-yl]thio]purine-2,6-dione IUPAC Name: 7-hexyl-3-methyl-8-[(2R)-3-oxobutan-2-yl]sulfanylpurine-2,6-dione Traditional Name: 7-hexyl-8-[[(1R)-2-keto-1-methyl-propyl]thio]-3-methyl-xanthine Formula: C16H24N4O3S MolecularWeight: 352.45176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1SC(C)C(=O)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1S[C@H](C)C(=O)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H24N4O3S/c1-5-6-7-8-9-20-12-13(19(4)15(23)18-14(12)22)17-16(20)24-11(3)10(2)21/h11H,5-9H2,1-4H3,(H,18,22,23)/t11-/m1/s1