GJI
Summary
| Name: | 3-methyl-1-(2-piperazin-1-yl-1,3-thiazol-4-yl)-2,5,6,7-tetrahydroisoindol-4-one |
| Formula: | C16 H20 N4 O S |
| Formal charge: | 0 |
| Formula weight: | 316.421 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-methyl-1-(2-piperazin-1-yl-1,3-thiazol-4-yl)-2,5,6,7-tetrahydroisoindol-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H20N4OS/c1-10-14-11(3-2-4-13(14)21)15(18-10)12-9-22-16(19-12)20-7-5-17-6-8-20/h9,17-18H,2-8H2,1H3 |
| InChIKey | InChI | 1.06 | HRDOIKMHSZXEOA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]c(c2CCCC(=O)c12)c3csc(n3)N4CCNCC4 |
| SMILES | CACTVS | 3.385 | Cc1[nH]c(c2CCCC(=O)c12)c3csc(n3)N4CCNCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c2c(c([nH]1)c3csc(n3)N4CCNCC4)CCCC2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c2c(c([nH]1)c3csc(n3)N4CCNCC4)CCCC2=O |
