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CAS 1310746-11-2

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Urea, N′-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-[[4-(4-ethyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]-N-methyl-, hydrate (1:1)

Description:
Urea, N′-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-[[4-(4-ethyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]-N-methyl-, hydrate (1:1), identified by CAS number 1310746-11-2, is a complex organic compound characterized by its urea functional group and multiple aromatic and heterocyclic moieties. This substance features a dichlorinated phenyl ring and a dimethoxy substitution, which contribute to its potential biological activity. The presence of a piperazine ring suggests possible interactions with biological targets, making it of interest in medicinal chemistry. The hydrate form indicates that it contains water molecules in its crystalline structure, which can influence its solubility and stability. This compound may exhibit specific pharmacological properties, potentially acting as an inhibitor or modulator in various biochemical pathways. Its synthesis and characterization would typically involve advanced organic chemistry techniques, and its applications could range from pharmaceuticals to agrochemicals, depending on its efficacy and safety profile in biological systems.
Formula:C26H31Cl2N7O3·H2O
InChI:InChI=1S/C26H31Cl2N7O3.H2O/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28;/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31);1H2
InChI key:InChIKey=HAHRMIYGWQQRHI-UHFFFAOYSA-N
SMILES:N(C(N(C)C=1C=C(NC2=CC=C(C=C2)N3CCN(CC)CC3)N=CN1)=O)C4=C(Cl)C(OC)=CC(OC)=C4Cl.O
Synonyms:
  • Urea, N′-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-[[4-(4-ethyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]-N-methyl-, hydrate (1:1)
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