XJ0
Summary
| Name: | (E)-3-(2-AMINO-PYRIDINE-5YL)-ACRYLIC ACID |
| Synonyms: | (2E)-3-(2-AMINOPYRIMIDIN-5-YL)PROP-2-ENOIC ACID |
| Formula: | C7 H7 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 165.149 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2E)-3-(2-aminopyrimidin-5-yl)prop-2-enoic acid |
| OpenEye OEToolkits | 1.6.1 | (E)-3-(2-aminopyrimidin-5-yl)prop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)/C=C/c1cnc(nc1)N |
| SMILES_CANONICAL | CACTVS | 3.352 | Nc1ncc(/C=C/C(O)=O)cn1 |
| SMILES | CACTVS | 3.352 | Nc1ncc(C=CC(O)=O)cn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1c(cnc(n1)N)\C=C\C(=O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1c(cnc(n1)N)C=CC(=O)O |
| InChI | InChI | 1.03 | 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 | InChI | 1.03 | ZSTSKJFUYGWSPO-OWOJBTEDSA-N |
