GQX
Summary
| Name: | 2-[4-(3-methyl-4-oxidanylidene-2,5,6,7-tetrahydroisoindol-1-yl)-1,3-thiazol-2-yl]guanidine |
| Formula: | C13 H15 N5 O S |
| Formal charge: | 0 |
| Formula weight: | 289.356 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[4-(3-methyl-4-oxidanylidene-2,5,6,7-tetrahydroisoindol-1-yl)-1,3-thiazol-2-yl]guanidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H15N5OS/c1-6-10-7(3-2-4-9(10)19)11(16-6)8-5-20-13(17-8)18-12(14)15/h5,16H,2-4H2,1H3,(H4,14,15,17,18) |
| InChIKey | InChI | 1.06 | KCVACUMTAXEALK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]c(c2CCCC(=O)c12)c3csc(N=C(N)N)n3 |
| SMILES | CACTVS | 3.385 | Cc1[nH]c(c2CCCC(=O)c12)c3csc(N=C(N)N)n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c2c(c([nH]1)c3csc(n3)N=C(N)N)CCCC2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c2c(c([nH]1)c3csc(n3)N=C(N)N)CCCC2=O |
