RYQ
Summary
| Name: | 9-[(2-methyl-1,3-thiazol-4-yl)methyl]-9H-purine-2,6-diamine |
| Formula: | C10 H11 N7 S |
| Formal charge: | 0 |
| Formula weight: | 261.306 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 9-[(2-methyl-1,3-thiazol-4-yl)methyl]-9H-purine-2,6-diamine |
| OpenEye OEToolkits | 2.0.7 | 9-[(2-methyl-1,3-thiazol-4-yl)methyl]purine-2,6-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1nc(Cn2cnc3c(N)nc(N)nc23)cs1 |
| InChI | InChI | 1.06 | InChI=1S/C10H11N7S/c1-5-14-6(3-18-5)2-17-4-13-7-8(11)15-10(12)16-9(7)17/h3-4H,2H2,1H3,(H4,11,12,15,16) |
| InChIKey | InChI | 1.06 | INTFUQJSFGYBOV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1scc(Cn2cnc3c(N)nc(N)nc23)n1 |
| SMILES | CACTVS | 3.385 | Cc1scc(Cn2cnc3c(N)nc(N)nc23)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nc(cs1)Cn2cnc3c2nc(nc3N)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nc(cs1)Cn2cnc3c2nc(nc3N)N |
