59X
Summary
| Name: | 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(2-fluoroethyl)thieno[2,3-d]pyrimidine |
| Synonyms: | MI-836 |
| Formula: | C17 H22 F N5 S2 |
| Formal charge: | 0 |
| Formula weight: | 379.518 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(2-fluoroethyl)thieno[2,3-d]pyrimidine |
| OpenEye OEToolkits | 1.9.2 | 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(2-fluoranylethyl)thieno[2,3-d]pyrimidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c12sc(CCF)cc1c(ncn2)N3CCN(CC3)C=4SC(C)(C)CN=4 |
| InChI | InChI | 1.03 | InChI=1S/C17H22FN5S2/c1-17(2)10-19-16(25-17)23-7-5-22(6-8-23)14-13-9-12(3-4-18)24-15(13)21-11-20-14/h9,11H,3-8,10H2,1-2H3 |
| InChIKey | InChI | 1.03 | UOPVCDBELHDBLY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)CN=C(S1)N2CCN(CC2)c3ncnc4sc(CCF)cc34 |
| SMILES | CACTVS | 3.385 | CC1(C)CN=C(S1)N2CCN(CC2)c3ncnc4sc(CCF)cc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC1(CN=C(S1)N2CCN(CC2)c3c4cc(sc4ncn3)CCF)C |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC1(CN=C(S1)N2CCN(CC2)c3c4cc(sc4ncn3)CCF)C |
