| PDB CCD ID: | 42V |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C10 H9 N3 O2 S |
| InChI: | InChI=1S/C10H9N3O2S/c1-13-9(15)7(12-10(13)16)4-6-2-3-8(14)11-5-6/h2-5H,1H3,(H,11,14)(H,12,16)/b7-4+ |
| InChIKey: | IWSWTVREIULVFV-QPJJXVBHSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CN1C(=S)NC(=C/C2=CNC(=O)C=C2)/C1=O | | CACTVS 3.385 | CN1C(=S)NC(=CC2=CNC(=O)C=C2)C1=O | | OpenEye OEToolkits 1.9.2 | CN1C(=O)C(=CC2=CNC(=O)C=C2)NC1=S | | OpenEye OEToolkits 1.9.2 | CN1C(=O)/C(=C\C2=CNC(=O)C=C2)/NC1=S | | ACDLabs 12.01 | S=C2NC(=C\C=1C=CC(=O)NC=1)\C(=O)N2C |
|
| Name: | 5-[(E)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]pyridin-2(1H)-one |
| ChEMBL: | CHEMBL3605382 |
| ZINC: | ZINC000263620579 |
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