Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C18H20N6O |
| Molecular Weight | 336.391 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OCN1C=CC2=C1N=CN=C2C3=CN(N=C3)[C@H](CC#N)C4CCCC4
InChI
InChIKey=HBWPBIVFCXQPCJ-MRXNPFEDSA-N
InChI=1S/C18H20N6O/c19-7-5-16(13-3-1-2-4-13)24-10-14(9-22-24)17-15-6-8-23(12-25)18(15)21-11-20-17/h6,8-11,13,16,25H,1-5,12H2/t16-/m1/s1
| Molecular Formula | C18H20N6O |
| Molecular Weight | 336.391 |
| 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
Edited
Wed Apr 02 19:53:01 GMT 2025
by
admin
on
Wed Apr 02 19:53:01 GMT 2025
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| Record UNII |
8JZT65KUW4
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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Preferred Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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1236033-03-6
Created by
admin on Wed Apr 02 19:53:01 GMT 2025 , Edited by admin on Wed Apr 02 19:53:01 GMT 2025
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59420163
Created by
admin on Wed Apr 02 19:53:01 GMT 2025 , Edited by admin on Wed Apr 02 19:53:01 GMT 2025
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PRIMARY | |||
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8JZT65KUW4
Created by
admin on Wed Apr 02 19:53:01 GMT 2025 , Edited by admin on Wed Apr 02 19:53:01 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ENANTIOMER -> ENANTIOMER |
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RACEMATE -> ENANTIOMER |
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![Structure of 3-Cyclopentyl-3-{4-[7-(hydroxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazol-1-yl}propanenitrile, (3S)-](/img/d65261e8-1bdd-44b3-96aa-45f338a5b4d5.svg "Structure of 3-Cyclopentyl-3-{4-[7-(hydroxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazol-1-yl}propanenitrile, (3S)-")
![Structure of 3-Cyclopentyl-3-[4-[7-(hydroxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile](/img/6bb4c4de-9376-4b24-b9b0-e9865796f482.svg "Structure of 3-Cyclopentyl-3-[4-[7-(hydroxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile")