Q9U
Summary
| Name: | 2-[4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-2~{H}-isoindol-1-yl)-1,3-thiazol-2-yl]guanidine |
| Formula: | C15 H19 N5 O S |
| Formal charge: | 0 |
| Formula weight: | 317.409 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-2~{H}-isoindol-1-yl)-1,3-thiazol-2-yl]guanidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H19N5OS/c1-7-11-8(4-15(2,3)5-10(11)21)12(18-7)9-6-22-14(19-9)20-13(16)17/h6,18H,4-5H2,1-3H3,(H4,16,17,19,20) |
| InChIKey | InChI | 1.06 | DRJITSMHAYLRJA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]c(c2CC(C)(C)CC(=O)c12)c3csc(N=C(N)N)n3 |
| SMILES | CACTVS | 3.385 | Cc1[nH]c(c2CC(C)(C)CC(=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)CC(CC2=O)(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c2c(c([nH]1)c3csc(n3)N=C(N)N)CC(CC2=O)(C)C |
