GIE
Summary
| Name: | 1-[4-ethyl-2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone |
| Formula: | C16 H22 N4 O S |
| Formal charge: | 0 |
| Formula weight: | 318.437 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[4-ethyl-2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H22N4OS/c1-4-12-14(11(3)21)10(2)18-15(12)13-9-22-16(19-13)20-7-5-17-6-8-20/h9,17-18H,4-8H2,1-3H3 |
| InChIKey | InChI | 1.06 | GSMRYQUEJCTMHR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNCC3 |
| SMILES | CACTVS | 3.385 | CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1c(c([nH]c1c2csc(n2)N3CCNCC3)C)C(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1c(c([nH]c1c2csc(n2)N3CCNCC3)C)C(=O)C |
