M9N
Summary
| Name: | 2-[[(4~{S})-5-chloranyl-6-methyl-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-4-yl]sulfanyl]ethanoic acid |
| Formula: | C9 H11 Cl N2 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 278.779 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[[(4~{S})-5-chloranyl-6-methyl-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-4-yl]sulfanyl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H11ClN2O2S2/c1-4-7(10)6-8(15-2-5(13)14)11-3-12-9(6)16-4/h8,11-12H,2-3H2,1H3,(H,13,14)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | YXTHLXJCVDULSY-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1sc2NCN[C@@H](SCC(O)=O)c2c1Cl |
| SMILES | CACTVS | 3.385 | Cc1sc2NCN[CH](SCC(O)=O)c2c1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c2c(s1)NCN[C@H]2SCC(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c2c(s1)NCNC2SCC(=O)O)Cl |
