Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C22H17ClF3N9O2.C4H4O4 |
| Molecular Weight | 647.95 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 2 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C\C(O)=O.CN1C=NC(CN2C(=O)N\C(=N/C3=CC4=CN(C)N=C4C=C3Cl)N(CC5=C(F)C=C(F)C(F)=C5)C2=O)=N1
InChI
InChIKey=FBOCUALVLIWPNQ-WLHGVMLRSA-N
InChI=1S/C22H17ClF3N9O2.C4H4O4/c1-32-7-12-4-18(13(23)5-17(12)30-32)28-20-29-21(36)35(9-19-27-10-33(2)31-19)22(37)34(20)8-11-3-15(25)16(26)6-14(11)24;5-3(6)1-2-4(7)8/h3-7,10H,8-9H2,1-2H3,(H,28,29,36);1-2H,(H,5,6)(H,7,8)/b;2-1+
| Molecular Formula | C4H4O4 |
| Molecular Weight | 116.0722 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
| Molecular Formula | C22H17ClF3N9O2 |
| Molecular Weight | 531.878 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 18:59:19 GMT 2023
by
admin
on
Sat Dec 16 18:59:19 GMT 2023
|
| Record UNII |
3DAH6L5LL9
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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3DAH6L5LL9
Created by
admin on Sat Dec 16 18:59:19 GMT 2023 , Edited by admin on Sat Dec 16 18:59:19 GMT 2023
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162623410
Created by
admin on Sat Dec 16 18:59:19 GMT 2023 , Edited by admin on Sat Dec 16 18:59:19 GMT 2023
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2757470-18-9
Created by
admin on Sat Dec 16 18:59:19 GMT 2023 , Edited by admin on Sat Dec 16 18:59:19 GMT 2023
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PRIMARY |
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