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Details

Stereochemistry EPIMERIC
Molecular Formula C16H20N6O
Molecular Weight 312.3696
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-1-piperidinepropanenitrile, (4R)-

SMILES

C[C@@H]1CCN(CC1N(C)C2=C3C=CNC3=NC=N2)C(=O)CC#N

InChI

InChIKey=UJLAWZDWDVHWOW-JTDNENJMSA-N
InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13?/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H20N6O
Molecular Weight 312.3696
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 20:08:15 UTC 2023
Edited
by admin
on Sat Dec 16 20:08:15 UTC 2023
Record UNII
F2ESF439P7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-Methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-1-piperidinepropanenitrile, (4R)-
Systematic Name English
(4R)-4-Methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-1-piperidinepropanenitrile
Systematic Name English
1-Piperidinepropanenitrile, 4-methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-, (4R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
25009830
Created by admin on Sat Dec 16 20:08:15 UTC 2023 , Edited by admin on Sat Dec 16 20:08:15 UTC 2023
PRIMARY
CAS
1314642-24-4
Created by admin on Sat Dec 16 20:08:15 UTC 2023 , Edited by admin on Sat Dec 16 20:08:15 UTC 2023
PRIMARY
FDA UNII
F2ESF439P7
Created by admin on Sat Dec 16 20:08:15 UTC 2023 , Edited by admin on Sat Dec 16 20:08:15 UTC 2023
PRIMARY