Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C16H18N4O3S |
| Molecular Weight | 346.404 |
| Optical Activity | ( + ) |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=CC=C2NC(=NC2=N1)[S@+]([O-])CC3=NC=C(C)C(OC)=C3C
InChI
InChIKey=ZBFDAUIVDSSISP-XMMPIXPASA-N
InChI=1S/C16H18N4O3S/c1-9-7-17-12(10(2)14(9)23-4)8-24(21)16-18-11-5-6-13(22-3)19-15(11)20-16/h5-7H,8H2,1-4H3,(H,18,19,20)/t24-/m1/s1
| Molecular Formula | C16H18N4O3S |
| Molecular Weight | 346.404 |
| 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
Tue Apr 01 16:25:57 GMT 2025
by
admin
on
Tue Apr 01 16:25:57 GMT 2025
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| Record UNII |
W663V80PX0
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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| Code System | Code | Type | Description | ||
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705969-00-2
Created by
admin on Tue Apr 01 16:25:57 GMT 2025 , Edited by admin on Tue Apr 01 16:25:57 GMT 2025
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PRIMARY | |||
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W663V80PX0
Created by
admin on Tue Apr 01 16:25:57 GMT 2025 , Edited by admin on Tue Apr 01 16:25:57 GMT 2025
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PRIMARY | |||
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40466926
Created by
admin on Tue Apr 01 16:25:57 GMT 2025 , Edited by admin on Tue Apr 01 16:25:57 GMT 2025
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PRIMARY | PUBCHEM |
| Related Record | Type | Details | ||
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ENANTIOMER -> ENANTIOMER |
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RACEMATE -> ENANTIOMER |
