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CAS 886588-63-2

:

7-(2-Butyn-1-yl)-8-[(3R)-3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1-piperidinyl]-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-1H-purine-2,6-dione

Description:
The chemical substance known as "7-(2-Butyn-1-yl)-8-[(3R)-3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1-piperidinyl]-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-1H-purine-2,6-dione" with the CAS number 886588-63-2 is a complex organic compound characterized by its multi-ring structure, which includes purine and quinazoline moieties. This compound features various functional groups, including a butynyl chain and a piperidine ring, contributing to its potential biological activity. It is likely to exhibit properties typical of purine derivatives, such as interactions with biological targets like enzymes or receptors. The presence of multiple heteroatoms and functional groups suggests that it may have solubility in organic solvents and possibly exhibit moderate to high polarity. Its structural complexity indicates potential for diverse pharmacological effects, making it a candidate for further research in medicinal chemistry. However, specific physical and chemical properties such as melting point, boiling point, and solubility would require empirical determination or literature reference for precise characterization.
Formula:C33H30N8O4
InChI:InChI=1S/C33H30N8O4/c1-4-5-17-39-27-28(37(3)33(45)40(31(27)44)19-26-34-20(2)22-12-8-9-15-25(22)35-26)36-32(39)38-16-10-11-21(18-38)41-29(42)23-13-6-7-14-24(23)30(41)43/h6-9,12-15,21H,10-11,16-19H2,1-3H3/t21-/m1/s1
InChI key:InChIKey=OXVXJPINFRNEPM-OAQYLSRUSA-N
SMILES:C(C#CC)N1C2=C(N=C1N3C[C@@H](CCC3)N4C(=O)C=5C(C4=O)=CC=CC5)N(C)C(=O)N(CC6=NC7=C(C(C)=N6)C=CC=C7)C2=O
Synonyms:
  • 1H-Purine-2,6-dione, 7-(2-butynyl)-8-[(3R)-3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1-piperidinyl]-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-
  • 7-(2-Butyn-1-yl)-8-[(3R)-3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1-piperidinyl]-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-1H-purine-2,6-dione
  • 1H-Purine-2,6-dione, 7-(2-butyn-1-yl)-8-[(3R)-3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1-piperidinyl]-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-
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