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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H22N8
Molecular Weight 362.4316
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-Methyl-N-[(3R,4R)-4-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-piperidinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

SMILES

C[C@@H]1CCN(C[C@@H]1N(C)C2=C3C=CNC3=NC=N2)C4=NC=NC5=C4C=CN5

InChI

InChIKey=SMRQHAISNZVPQG-DOMZBBRYSA-N
InChI=1S/C19H22N8/c1-12-5-8-27(19-14-4-7-21-17(14)23-11-25-19)9-15(12)26(2)18-13-3-6-20-16(13)22-10-24-18/h3-4,6-7,10-12,15H,5,8-9H2,1-2H3,(H,20,22,24)(H,21,23,25)/t12-,15+/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H22N8
Molecular Weight 362.4316
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 13:58:03 GMT 2025
Edited
by admin
on Wed Apr 02 13:58:03 GMT 2025
Record UNII
7GG8V8NPD3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-Methyl-N-[(3R,4R)-4-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-piperidinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Systematic Name English
7H-Pyrrolo[2,3-d]pyrimidin-4-amine, N-methyl-N-[(3R,4R)-4-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-piperidinyl]-
Preferred Name English
Code System Code Type Description
FDA UNII
7GG8V8NPD3
Created by admin on Wed Apr 02 13:58:03 GMT 2025 , Edited by admin on Wed Apr 02 13:58:03 GMT 2025
PRIMARY
PUBCHEM
151871061
Created by admin on Wed Apr 02 13:58:03 GMT 2025 , Edited by admin on Wed Apr 02 13:58:03 GMT 2025
PRIMARY
CAS
2504210-38-0
Created by admin on Wed Apr 02 13:58:03 GMT 2025 , Edited by admin on Wed Apr 02 13:58:03 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY