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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H18N6O
Molecular Weight 310.3537
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

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

SMILES

C[C@H]1CN(C(=O)CC#N)[C@@]12CCN(C2)C3=NC=NC4=C3C=CN4

InChI

InChIKey=LOWWYYZBZNSPDT-MEDUHNTESA-N
InChI=1S/C16H18N6O/c1-11-8-22(13(23)2-5-17)16(11)4-7-21(9-16)15-12-3-6-18-14(12)19-10-20-15/h3,6,10-11H,2,4,7-9H2,1H3,(H,18,19,20)/t11-,16+/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H18N6O
Molecular Weight 310.3537
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 20:12:56 GMT 2025
Edited
by admin
on Wed Apr 02 20:12:56 GMT 2025
Record UNII
UT2XKZ8LJH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3S,4S)-3-Methyl-?-oxo-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,6-diazaspiro[3.4]octane-1-propanenitrile
Preferred Name English
3-Methyl-?-oxo-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,6-diazaspiro[3.4]octane-1-propanenitrile, (3S,4S)-
Systematic Name English
1,6-Diazaspiro[3.4]octane-1-propanenitrile, 3-methyl-?-oxo-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-, (3S,4S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
50914214
Created by admin on Wed Apr 02 20:12:56 GMT 2025 , Edited by admin on Wed Apr 02 20:12:56 GMT 2025
PRIMARY
FDA UNII
UT2XKZ8LJH
Created by admin on Wed Apr 02 20:12:56 GMT 2025 , Edited by admin on Wed Apr 02 20:12:56 GMT 2025
PRIMARY
CAS
1263774-61-3
Created by admin on Wed Apr 02 20:12:56 GMT 2025 , Edited by admin on Wed Apr 02 20:12:56 GMT 2025
PRIMARY