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CAS 63204-23-9

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4(3H)-Pyrimidinone, 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[[(4-methyl-1H-imidazol-5-yl)methyl]thio]ethyl]amino]-, hydrochloride (1:2)

Description:
4(3H)-Pyrimidinone, 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[[(4-methyl-1H-imidazol-5-yl)methyl]thio]ethyl]amino]-, hydrochloride (1:2), with CAS number 63204-23-9, is a complex organic compound characterized by its multi-ring structure and various functional groups. This substance features a pyrimidinone core, which is a six-membered aromatic ring containing nitrogen atoms, contributing to its potential biological activity. The presence of a benzodioxole moiety suggests properties related to aromaticity and electron delocalization, which may enhance its interaction with biological targets. Additionally, the compound contains a thioether linkage and an imidazole ring, which are often associated with pharmacological properties, including enzyme inhibition or receptor modulation. As a hydrochloride salt, it is likely to exhibit improved solubility in aqueous environments, facilitating its use in biological studies or pharmaceutical applications. Overall, this compound's structural complexity indicates potential utility in medicinal chemistry, particularly in the development of therapeutic agents.
Formula:C19H21N5O3S·2ClH
InChI:InChI=1S/C19H21N5O3S.2ClH/c1-12-15(23-10-22-12)9-28-5-4-20-19-21-8-14(18(25)24-19)6-13-2-3-16-17(7-13)27-11-26-16;;/h2-3,7-8,10H,4-6,9,11H2,1H3,(H,22,23)(H2,20,21,24,25);2*1H
InChI key:InChIKey=RBNMEHBTDUJJJM-UHFFFAOYSA-N
SMILES:C(C=1C=C2C(=CC1)OCO2)C=3C(=O)NC(NCCSCC=4NC=NC4C)=NC3.Cl
Synonyms:
  • 4(3H)-Pyrimidinone, 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[[(4-methyl-1H-imidazol-5-yl)methyl]thio]ethyl]amino]-, hydrochloride (1:2)
  • SKF 92994A2
  • 4(1H)-Pyrimidinone, 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]amino]-, dihydrochloride
  • Oxmetidine hydrochloride
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