JKQ
Summary
| Name: | (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid |
| Formula: | C19 H18 N4 O2 S |
| Formal charge: | 0 |
| Formula weight: | 366.437 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H18N4O2S/c1-3-14-15(12-4-5-13-11(8-12)6-7-20-13)16-17(23-10(2)19(24)25)21-9-22-18(16)26-14/h4-10,20H,3H2,1-2H3,(H,24,25)(H,21,22,23)/t10-/m1/s1 |
| InChIKey | InChI | 1.03 | QOISOOHIVJLDFS-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1sc2ncnc(N[C@H](C)C(O)=O)c2c1c3ccc4[nH]ccc4c3 |
| SMILES | CACTVS | 3.385 | CCc1sc2ncnc(N[CH](C)C(O)=O)c2c1c3ccc4[nH]ccc4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1c(c2c(ncnc2s1)N[C@H](C)C(=O)O)c3ccc4c(c3)cc[nH]4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1c(c2c(ncnc2s1)NC(C)C(=O)O)c3ccc4c(c3)cc[nH]4 |
