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CAS 159660-86-3

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2,3,5,6,7,8-Hexahydro-3-methyl-6-(phenylmethyl)-2-thioxopyrido[4,3-d]pyrimidin-4(1H)-one

Description:
2,3,5,6,7,8-Hexahydro-3-methyl-6-(phenylmethyl)-2-thioxopyrido[4,3-d]pyrimidin-4(1H)-one, with CAS number 159660-86-3, is a heterocyclic compound characterized by its complex bicyclic structure that incorporates both pyridine and pyrimidine rings. This compound features a thioxo group, which contributes to its reactivity and potential biological activity. The presence of a phenylmethyl group enhances its lipophilicity, potentially influencing its pharmacokinetic properties. The hexahydro component indicates that the compound is saturated, which may affect its stability and interaction with biological targets. Its unique structural features suggest potential applications in medicinal chemistry, particularly in the development of pharmaceuticals. The compound's synthesis and characterization would typically involve standard organic chemistry techniques, and its properties could be further explored through various analytical methods such as NMR, mass spectrometry, and X-ray crystallography. Overall, this compound represents a class of thioxopyrimidine derivatives that may exhibit interesting biological activities worth investigating.
Formula:C15H17N3OS
InChI:InChI=1S/C15H17N3OS/c1-17-14(19)12-10-18(8-7-13(12)16-15(17)20)9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,16,20)
InChI key:InChIKey=ILLBLVIXGWVCNC-UHFFFAOYSA-N
SMILES:O=C1C2=C(CCN(CC3=CC=CC=C3)C2)NC(=S)N1C
Synonyms:
  • 2,3,5,6,7,8-Hexahydro-3-methyl-6-(phenylmethyl)-2-thioxopyrido[4,3-d]pyrimidin-4(1H)-one
  • Pyrido[4,3-d]pyrimidin-4(1H)-one, 2,3,5,6,7,8-hexahydro-3-methyl-6-(phenylmethyl)-2-thioxo-
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