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Details

Stereochemistry RACEMIC
Molecular Formula C16H18N6O
Molecular Weight 310.3537
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,6-Dihydro-4-methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-1(2H)-pyridinepropanenitrile

SMILES

CN(C1CN(CC=C1C)C(=O)CC#N)C2=C3C=CNC3=NC=N2

InChI

InChIKey=JELREWKAMBPECC-UHFFFAOYSA-N
InChI=1S/C16H18N6O/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/h4-5,7,10,13H,3,8-9H2,1-2H3,(H,18,19,20)

HIDE SMILES / InChI

Molecular Formula C16H18N6O
Molecular Weight 310.3537
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 20:12:44 GMT 2023
Edited
by admin
on Sat Dec 16 20:12:44 GMT 2023
Record UNII
44EUX5A8GG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,6-Dihydro-4-methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-1(2H)-pyridinepropanenitrile
Systematic Name English
1(2H)-Pyridinepropanenitrile, 3,6-dihydro-4-methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-
Systematic Name English
Code System Code Type Description
FDA UNII
44EUX5A8GG
Created by admin on Sat Dec 16 20:12:44 GMT 2023 , Edited by admin on Sat Dec 16 20:12:44 GMT 2023
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CAS
2504210-31-3
Created by admin on Sat Dec 16 20:12:44 GMT 2023 , Edited by admin on Sat Dec 16 20:12:44 GMT 2023
PRIMARY
PUBCHEM
150663961
Created by admin on Sat Dec 16 20:12:44 GMT 2023 , Edited by admin on Sat Dec 16 20:12:44 GMT 2023
PRIMARY