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PDBeChem : Molecule Descriptors
Molecule : DZY
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C7H9NO2S/c1-4-6(3-7(9)10)8-5(2)11-4/h3H2,1-2H3,(H,9,10) |
2 |
InChIKey
|
InChI |
1.03 |
FFPWICPYXBDRHM-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
O=C(O)Cc1nc(sc1C)C |
4 |
SMILES
|
CACTVS |
3.370 |
Cc1sc(C)c(CC(O)=O)n1 |
5 |
SMILES
|
OpenEye OEToolkits |
1.7.6 |
Cc1c(nc(s1)C)CC(=O)O |
6 |
Canonical SMILES
|
CACTVS |
3.370 |
Cc1sc(C)c(CC(O)=O)n1 |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.6 |
Cc1c(nc(s1)C)CC(=O)O |
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