W5A
Summary
| Name: | 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-purin-6-amine |
| Formula: | C10 H10 N6 S |
| Formal charge: | 0 |
| Formula weight: | 246.292 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-purin-6-amine |
| OpenEye OEToolkits | 2.0.7 | 3-[(2-methyl-1,3-thiazol-4-yl)methyl]purin-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(csc(n1)C)CN2C=3C(=C(N)N=C2)N=CN=3 |
| InChI | InChI | 1.03 | InChI=1S/C10H10N6S/c1-6-15-7(3-17-6)2-16-5-14-9(11)8-10(16)13-4-12-8/h3-5H,2,11H2,1H3 |
| InChIKey | InChI | 1.03 | RQKKPLMKELKMJU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1scc(Cn2cnc(N)c3ncnc23)n1 |
| SMILES | CACTVS | 3.385 | Cc1scc(Cn2cnc(N)c3ncnc23)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nc(cs1)Cn2cnc(c-3ncnc23)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nc(cs1)Cn2cnc(c-3ncnc23)N |
