Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C18H20FN5O4.CH4O3S |
| Molecular Weight | 485.487 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.CO\N=C1/CN(C[C@@H]1CN)C2=C(F)C=C3C(=O)C(=CN(C4CC4)C3=N2)C(O)=O
InChI
InChIKey=JIYMVSQRGZEYAX-XTJGTVCSSA-N
InChI=1S/C18H20FN5O4.CH4O3S/c1-28-22-14-8-23(6-9(14)5-20)17-13(19)4-11-15(25)12(18(26)27)7-24(10-2-3-10)16(11)21-17;1-5(2,3)4/h4,7,9-10H,2-3,5-6,8,20H2,1H3,(H,26,27);1H3,(H,2,3,4)/b22-14+;/t9-;/m0./s1
| Molecular Formula | C18H20FN5O4 |
| Molecular Weight | 389.3809 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | CH4O3S |
| Molecular Weight | 96.106 |
| 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 11:02:53 UTC 2023
by
admin
on
Sat Dec 16 11:02:53 UTC 2023
|
| Record UNII |
D810A1OJ04
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Systematic Name | English |
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D810A1OJ04
Created by
admin on Sat Dec 16 11:02:53 UTC 2023 , Edited by admin on Sat Dec 16 11:02:53 UTC 2023
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PRIMARY | |||
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73416381
Created by
admin on Sat Dec 16 11:02:53 UTC 2023 , Edited by admin on Sat Dec 16 11:02:53 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
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RACEMATE -> ENANTIOMER |
