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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H16FN9
Molecular Weight 353.3569
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-N-((1S)-1-(5-FLUOROPYRIMIDIN-2-YL)ETHYL)-4-N-(1-METHYLIMIDAZOL-4-YL)-7H-PYRROLO(2,3-D)PYRIMIDINE-2,4-DIAMINE

SMILES

C[C@H](NC1=NC2=C(C=CN2)C(NC3=CN(C)C=N3)=N1)C4=NC=C(F)C=N4

InChI

InChIKey=QHXBWJSQXSYAGG-VIFPVBQESA-N
InChI=1S/C16H16FN9/c1-9(13-19-5-10(17)6-20-13)22-16-24-14-11(3-4-18-14)15(25-16)23-12-7-26(2)8-21-12/h3-9H,1-2H3,(H3,18,22,23,24,25)/t9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H16FN9
Molecular Weight 353.3569
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:33:06 UTC 2023
Edited
by admin
on Sat Dec 16 12:33:06 UTC 2023
Record UNII
7N5LJ2Z26C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-N-((1S)-1-(5-FLUOROPYRIMIDIN-2-YL)ETHYL)-4-N-(1-METHYLIMIDAZOL-4-YL)-7H-PYRROLO(2,3-D)PYRIMIDINE-2,4-DIAMINE
Systematic Name English
N2-((1S)-1-(5-FLUORO-2-PYRIMIDINYL)ETHYL)-N4-(1-METHYL-1H-IMIDAZOL-4-YL)-7H-PYRROLO(2,3-D)PYRIMIDINE-2,4-DIAMINE
Systematic Name English
7H-PYRROLO(2,3-D)PYRIMIDINE-2,4-DIAMINE, N2-((1S)-1-(5-FLUORO-2-PYRIMIDINYL)ETHYL)-N4-(1-METHYL-1H-IMIDAZOL-4-YL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
45275255
Created by admin on Sat Dec 16 12:33:07 UTC 2023 , Edited by admin on Sat Dec 16 12:33:07 UTC 2023
PRIMARY
CAS
1220516-48-2
Created by admin on Sat Dec 16 12:33:07 UTC 2023 , Edited by admin on Sat Dec 16 12:33:07 UTC 2023
PRIMARY
FDA UNII
7N5LJ2Z26C
Created by admin on Sat Dec 16 12:33:07 UTC 2023 , Edited by admin on Sat Dec 16 12:33:07 UTC 2023
PRIMARY
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