| PDB CCD ID: | XJ0 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C7 H7 N3 O2 |
| InChI: | InChI=1S/C7H7N3O2/c8-7-9-3-5(4-10-7)1-2-6(11)12/h1-4H,(H,11,12)(H2,8,9,10)/b2-1+ |
| InChIKey: | ZSTSKJFUYGWSPO-OWOJBTEDSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.352 | Nc1ncc(/C=C/C(O)=O)cn1 | | CACTVS 3.352 | Nc1ncc(C=CC(O)=O)cn1 | | ACDLabs 10.04 | O=C(O)/C=C/c1cnc(nc1)N | | OpenEye OEToolkits 1.6.1 | c1c(cnc(n1)N)\C=C\C(=O)O | | OpenEye OEToolkits 1.6.1 | c1c(cnc(n1)N)C=CC(=O)O |
|
| Name: | (E)-3-(2-AMINO-PYRIDINE-5YL)-ACRYLIC ACID;
(2E)-3-(2-AMINOPYRIMIDIN-5-YL)PROP-2-ENOIC ACID |
| ZINC: | ZINC000014608604 |
umich.edu