Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C21H20N6O2 |
| Molecular Weight | 388.4225 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OCCNC1=CC=C(NC2=NC=CC(=N2)C3=CC=C(C=C3)C(=O)NCC#N)C=C1
InChI
InChIKey=OSFDLPGCGJPSGU-UHFFFAOYSA-N
InChI=1S/C21H20N6O2/c22-10-12-24-20(29)16-3-1-15(2-4-16)19-9-11-25-21(27-19)26-18-7-5-17(6-8-18)23-13-14-28/h1-9,11,23,28H,12-14H2,(H,24,29)(H,25,26,27)
| Molecular Formula | C21H20N6O2 |
| Molecular Weight | 388.4225 |
| 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 15:18:20 UTC 2023
by
admin
on
Sat Dec 16 15:18:20 UTC 2023
|
| Record UNII |
SZ42NX7H5A
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Common Name | English |
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SZ42NX7H5A
Created by
admin on Sat Dec 16 15:18:20 UTC 2023 , Edited by admin on Sat Dec 16 15:18:20 UTC 2023
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118574355
Created by
admin on Sat Dec 16 15:18:20 UTC 2023 , Edited by admin on Sat Dec 16 15:18:20 UTC 2023
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1841094-20-9
Created by
admin on Sat Dec 16 15:18:20 UTC 2023 , Edited by admin on Sat Dec 16 15:18:20 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
FECAL
|
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|
PARENT -> METABOLITE |
URINE
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