| PDB CCD ID: | 6RR |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C11 H16 N2 O2 S |
| InChI: | InChI=1S/C11H16N2O2S/c1-9-11(5-2-6-12-9)13-10-4-3-7-16(14,15)8-10/h2,5-6,10,13H,3-4,7-8H2,1H3/t10-/m1/s1 |
| InChIKey: | UTGFIRRMSACIPX-SNVBAGLBSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | Cc1ncccc1N[CH]2CCC[S](=O)(=O)C2 | | CACTVS 3.385 | Cc1ncccc1N[C@@H]2CCC[S](=O)(=O)C2 | | OpenEye OEToolkits 2.0.5 | Cc1c(cccn1)NC2CCCS(=O)(=O)C2 | | OpenEye OEToolkits 2.0.5 | Cc1c(cccn1)N[C@@H]2CCCS(=O)(=O)C2 |
|
| Name: | ~{N}-[(3~{R})-1,1-bis(oxidanylidene)thian-3-yl]-2-methyl-pyridin-3-amine |
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