| PDB CCD ID: | TO6 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C14 H11 N5 O2 |
| InChI: | InChI=1S/C14H11N5O2/c1-21-12-5-8(2-3-11(12)20)4-9(6-15)13-10(7-16)14(17)19-18-13/h2-5,20H,1H3,(H3,17,18,19)/b9-4+ |
| InChIKey: | WCAKSXQRFBVWDG-RUDMXATFSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | COc1cc(ccc1O)\C=C(/C#N)c2[nH]nc(N)c2C#N | | OpenEye OEToolkits 2.0.7 | COc1cc(ccc1O)/C=C(\C#N)/c2c(c(n[nH]2)N)C#N | | CACTVS 3.385 | COc1cc(ccc1O)C=C(C#N)c2[nH]nc(N)c2C#N | | OpenEye OEToolkits 2.0.7 | COc1cc(ccc1O)C=C(C#N)c2c(c(n[nH]2)N)C#N |
|
| Name: | 5-azanyl-3-[(~{Z})-1-cyano-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-3~{H}-pyrazole-4-carbonitrile |
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