Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C20H15BrN6O2 |
| Molecular Weight | 451.276 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=C(OC2=NC(NC3=CC=C(C=C3)C#N)=NC(N)=C2Br)C(CO)=CC(=C1)C#N
InChI
InChIKey=PSEOCSSSLMRMFI-UHFFFAOYSA-N
InChI=1S/C20H15BrN6O2/c1-11-6-13(9-23)7-14(10-28)17(11)29-19-16(21)18(24)26-20(27-19)25-15-4-2-12(8-22)3-5-15/h2-7,28H,10H2,1H3,(H3,24,25,26,27)
| Molecular Formula | C20H15BrN6O2 |
| Molecular Weight | 451.276 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 13:46:20 UTC 2023
by
admin
on
Sat Dec 16 13:46:20 UTC 2023
|
| Record UNII |
L4ZR677MYJ
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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L4ZR677MYJ
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admin on Sat Dec 16 13:46:20 UTC 2023 , Edited by admin on Sat Dec 16 13:46:20 UTC 2023
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1246815-68-8
Created by
admin on Sat Dec 16 13:46:20 UTC 2023 , Edited by admin on Sat Dec 16 13:46:20 UTC 2023
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71750800
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admin on Sat Dec 16 13:46:20 UTC 2023 , Edited by admin on Sat Dec 16 13:46:20 UTC 2023
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DTXSID10858135
Created by
admin on Sat Dec 16 13:46:20 UTC 2023 , Edited by admin on Sat Dec 16 13:46:20 UTC 2023
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| Related Record | Type | Details | ||
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PARENT -> METABOLITE | |||
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METABOLITE -> PARENT |
