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PDBeChem : Molecule Descriptors
Molecule : 0VY
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C5H12N4O2S/c6-5(8-12(7,10)11)9-3-1-2-4-9/h1-4H2,(H2,6,8)(H2,7,10,11) |
2 |
InChIKey
|
InChI |
1.03 |
RHOZLXBMABFVBY-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
O=S(=O)(/N=C(\N)N1CCCC1)N |
4 |
SMILES
|
CACTVS |
3.370 |
NC(=N[S](N)(=O)=O)N1CCCC1 |
5 |
SMILES
|
OpenEye OEToolkits |
1.7.6 |
C1CCN(C1)C(=NS(=O)(=O)N)N |
6 |
Canonical SMILES
|
CACTVS |
3.370 |
NC(=N[S](N)(=O)=O)N1CCCC1 |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.6 |
C1CCN(C1)/C(=N/S(=O)(=O)N)/N |
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