1FK
Summary
| Name: | 1-[7-amino-1-(pyrimidin-2-yl)indolizin-3-yl]ethanone |
| Formula: | C14 H12 N4 O |
| Formal charge: | 0 |
| Formula weight: | 252.271 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[7-amino-1-(pyrimidin-2-yl)indolizin-3-yl]ethanone |
| OpenEye OEToolkits | 1.7.6 | 1-(7-azanyl-1-pyrimidin-2-yl-indolizin-3-yl)ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1cc(c2cc(ccn12)N)c3ncccn3)C |
| InChI | InChI | 1.03 | InChI=1S/C14H12N4O/c1-9(19)12-8-11(14-16-4-2-5-17-14)13-7-10(15)3-6-18(12)13/h2-8H,15H2,1H3 |
| InChIKey | InChI | 1.03 | PSDYTFPEBOCDIW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(=O)c1cc(c2cc(N)ccn12)c3ncccn3 |
| SMILES | CACTVS | 3.370 | CC(=O)c1cc(c2cc(N)ccn12)c3ncccn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)c1cc(c2n1ccc(c2)N)c3ncccn3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)c1cc(c2n1ccc(c2)N)c3ncccn3 |
