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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H17N5
Molecular Weight 243.3076
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (3S,4S)-3-Methyl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,6-diazaspiro[3.4]octane

SMILES

C[C@H]1CN[C@@]12CCN(C2)C3=C4C=CNC4=NC=N3

InChI

InChIKey=YOZQNFQINJKCQC-TVQRCGJNSA-N
InChI=1S/C13H17N5/c1-9-6-17-13(9)3-5-18(7-13)12-10-2-4-14-11(10)15-8-16-12/h2,4,8-9,17H,3,5-7H2,1H3,(H,14,15,16)/t9-,13+/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H17N5
Molecular Weight 243.3076
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 20:56:21 GMT 2025
Edited
by admin
on Wed Apr 02 20:56:21 GMT 2025
Record UNII
3W6MV39PAX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3S,4S)-3-Methyl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,6-diazaspiro[3.4]octane
Systematic Name English
4-[(3S,4S)-3-Methyl-1,6-diaza-6-spiro[3.4]octyl]-1,5,7-triaza-1H-indene
Preferred Name English
Code System Code Type Description
FDA UNII
3W6MV39PAX
Created by admin on Wed Apr 02 20:56:21 GMT 2025 , Edited by admin on Wed Apr 02 20:56:21 GMT 2025
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