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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H16FN9
Molecular Weight 353.3576
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])(c1ncc(cn1)F)N=c2[nH]c3c(cc[nH]3)c(=Nc4cn(C)cn4)[nH]2

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 353.3576
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 Jun 26 05:01:11 UTC 2021
Edited
by admin
on Sat Jun 26 05:01:11 UTC 2021
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 Jun 26 05:01:11 UTC 2021 , Edited by admin on Sat Jun 26 05:01:11 UTC 2021
PRIMARY
CAS
1220516-48-2
Created by admin on Sat Jun 26 05:01:11 UTC 2021 , Edited by admin on Sat Jun 26 05:01:11 UTC 2021
PRIMARY
FDA UNII
7N5LJ2Z26C
Created by admin on Sat Jun 26 05:01:11 UTC 2021 , Edited by admin on Sat Jun 26 05:01:11 UTC 2021
PRIMARY
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