(Q82602166)

English

(3S)-3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile

chemical compound

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Statements

type of chemical entity

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chemical compound

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306.15929457600004 dalton

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based on heuristic

inferred from isomeric SMILES

stereoisomer of

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based on heuristic

inferred from InChI

chemical formula

C₁₇H₁₈N₆

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canonical SMILES

N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C1CCC(C1)[C@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3

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Identifiers

InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m0/s1

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HFNKQEVNSGCOJV-HNNXBMFYSA-N

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CAS Registry Number

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HFNKQEVNSGCOJV-HNNXBMFYSA-N

CAS Common Chemistry

8 April 2021

https://commonchemistry.cas.org/detail?cas_rn=941685-37-6

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matched by identifier from

HFNKQEVNSGCOJV-HNNXBMFYSA-N

UniChem compound ID

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DSSTox substance ID

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matched by identifier from

HFNKQEVNSGCOJV-HNNXBMFYSA-N

DSSTOX compound identifier

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matched by identifier from

HFNKQEVNSGCOJV-HNNXBMFYSA-N

Probes And Drugs ID

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