NIF
Summary
| Name: | 2-ethyl-7-piperazin-1-yl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Formula: | C11 H15 N5 O S |
| Formal charge: | 0 |
| Formula weight: | 265.335 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-ethyl-7-(piperazin-1-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| OpenEye OEToolkits | 1.7.0 | 2-ethyl-7-piperazin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C=C(N=C2SC(=NN12)CC)N3CCNCC3 |
| SMILES_CANONICAL | CACTVS | 3.370 | CCC1=NN2C(=O)C=C(N=C2S1)N3CCNCC3 |
| SMILES | CACTVS | 3.370 | CCC1=NN2C(=O)C=C(N=C2S1)N3CCNCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCC1=NN2C(=O)C=C(N=C2S1)N3CCNCC3 |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCC1=NN2C(=O)C=C(N=C2S1)N3CCNCC3 |
| InChI | InChI | 1.03 | InChI=1S/C11H15N5OS/c1-2-9-14-16-10(17)7-8(13-11(16)18-9)15-5-3-12-4-6-15/h7,12H,2-6H2,1H3 |
| InChIKey | InChI | 1.03 | WUYNDJNASMITGA-UHFFFAOYSA-N |
