PDB CCD ID: | WVK |
Number of entries in BioLiP: | 1 |
Chemical formula: | C11 H9 N3 O S |
InChI: | InChI=1S/C11H9N3OS/c15-10(5-4-9-3-1-8-16-9)14-11-12-6-2-7-13-11/h1-8H,(H,12,13,14,15)/b5-4+ |
InChIKey: | YHXZJZATPFHLGR-SNAWJCMRSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.385 | O=C(Nc1ncccn1)C=Cc2sccc2 | ACDLabs 12.01 | O=C(/C=C/c1cccs1)Nc1ncccn1 | OpenEye OEToolkits 2.0.7 | c1cc(sc1)C=CC(=O)Nc2ncccn2 | OpenEye OEToolkits 2.0.7 | c1cc(sc1)/C=C/C(=O)Nc2ncccn2 | CACTVS 3.385 | O=C(Nc1ncccn1)\C=C\c2sccc2 |
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Name: | (2E)-N-(pyrimidin-2-yl)-3-(thiophen-2-yl)prop-2-enamide |