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CAS 668270-11-9

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1H-Purine-2,6-dione,8-[(3S)-3-amino-1-piperidinyl]-7-(2-butynyl)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-

Description:
1H-Purine-2,6-dione, 8-[(3S)-3-amino-1-piperidinyl]-7-(2-butynyl)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]- is a complex organic compound characterized by its purine core structure, which is a bicyclic compound consisting of fused imidazole and pyrimidine rings. This substance features multiple functional groups, including an amino group, a piperidine ring, and a butynyl side chain, contributing to its potential biological activity. The presence of the quinazoline moiety suggests possible interactions with biological targets, making it of interest in medicinal chemistry, particularly in the development of pharmaceuticals. The compound's stereochemistry, indicated by the (3S) designation, implies specific spatial arrangements that can influence its biological interactions and efficacy. Additionally, its molecular structure suggests potential solubility and stability characteristics that are important for drug formulation. Overall, this compound exemplifies the complexity and diversity of synthetic organic molecules used in therapeutic applications.
Formula:C25H28N8O2
InChI:InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m0/s1
InChI key:LTXREWYXXSTFRX-KRWDZBQOSA-N
SMILES:CC#CCN1C2=C(N=C1N3CCC[C@@H](C3)N)N(C(=O)N(C2=O)CC4=NC5=CC=CC=C5C(=N4)C)C
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