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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H32N6OSi.C18H14O8
Molecular Weight 794.9242
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of β-Cyclopentyl-4-[7-[[2-(trimethylsilyl)ethoxy]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazole-1-propanenitrile (+)-dibenzoyltartaric acid, (βS)-

SMILES

OC(=O)[C@@H](OC(=O)C1=CC=CC=C1)[C@H](OC(=O)C2=CC=CC=C2)C(O)=O.C[Si](C)(C)CCOCN3C=CC4=C(N=CN=C34)C5=CN(N=C5)[C@@H](CC#N)C6CCCC6

InChI

InChIKey=QSAALLKTEBWYGD-QABJBTHJSA-N
InChI=1S/C23H32N6OSi.C18H14O8/c1-31(2,3)13-12-30-17-28-11-9-20-22(25-16-26-23(20)28)19-14-27-29(15-19)21(8-10-24)18-6-4-5-7-18;19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12/h9,11,14-16,18,21H,4-8,12-13,17H2,1-3H3;1-10,13-14H,(H,19,20)(H,21,22)/t21-;13-,14-/m00/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
β-Cyclopentyl-4-[7-[[2-(trimethylsilyl)ethoxy]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazole-1-propanenitrile (+)-dibenzoyltartaric acid, (βS)-
Systematic Name English
Butanedioic acid, 2,3-bis(benzoyloxy)-, (2S,3S)-, compd. with (βS)-β-cyclopentyl-4-[7-[[2-(trimethylsilyl)ethoxy]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazole-1-propanenitrile (1:1)
Systematic Name English
(βS)-β-Cyclopentyl-4-[7-[[2-(trimethylsilyl)ethoxy]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazole-1-propanenitrile (+)-dibenzoyltartaric acid
Systematic Name English
(S)-3-Cyclopentyl-3-(4-(7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)propanenitrile (2S,3S)-2,3-bis(benzoyloxy)succinate
Systematic Name English
Code System Code Type Description
CAS
2920037-87-0
Created by admin on Sat Dec 16 20:22:12 GMT 2023 , Edited by admin on Sat Dec 16 20:22:12 GMT 2023
PRIMARY
FDA UNII
29S5DZD98E
Created by admin on Sat Dec 16 20:22:12 GMT 2023 , Edited by admin on Sat Dec 16 20:22:12 GMT 2023
PRIMARY
PUBCHEM
168719783
Created by admin on Sat Dec 16 20:22:12 GMT 2023 , Edited by admin on Sat Dec 16 20:22:12 GMT 2023
PRIMARY