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PDBeChem : Molecule Descriptors
Molecule : E9V
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.06 |
InChI=1S/C7H11N3O2/c1-8-6(7(11)12)2-5-3-9-4-10-5/h3-4,6,8H,2H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1 |
2 |
InChIKey
|
InChI |
1.06 |
CYZKJBZEIFWZSR-LURJTMIESA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
CNC(Cc1cnc[NH]1)C(=O)O |
4 |
SMILES
|
CACTVS |
3.385 |
CN[CH](Cc1[nH]cnc1)C(O)=O |
5 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
CNC(Cc1cnc[nH]1)C(=O)O |
6 |
Canonical SMILES
|
CACTVS |
3.385 |
CN[C@@H](Cc1[nH]cnc1)C(O)=O |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
CN[C@@H](Cc1cnc[nH]1)C(=O)O |
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