MTH
Summary
| Name: | 2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-METHYLSULFANYLMETHYL-TETRAHYDRO-FURAN-3,4-DIOL |
| Synonyms: | 5'-DEOXY-5'-(METHYLTHIO)-TUBERCIDIN |
| Formula: | C12 H16 N4 O3 S |
| Formal charge: | 0 |
| Formula weight: | 296.345 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 7-(5-S-methyl-5-thio-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
| OpenEye OEToolkits | 1.5.0 | (2R,3R,4S,5S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | S(C)CC3OC(n2ccc1c(ncnc12)N)C(O)C3O |
| SMILES_CANONICAL | CACTVS | 3.341 | CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2ccc3c(N)ncnc23 |
| SMILES | CACTVS | 3.341 | CSC[CH]1O[CH]([CH](O)[CH]1O)n2ccc3c(N)ncnc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2ccc3c2ncnc3N)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CSCC1C(C(C(O1)n2ccc3c2ncnc3N)O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H16N4O3S/c1-20-4-7-8(17)9(18)12(19-7)16-3-2-6-10(13)14-5-15-11(6)16/h2-3,5,7-9,12,17-18H,4H2,1H3,(H2,13,14,15)/t7-,8-,9-,12-/m1/s1 |
| InChIKey | InChI | 1.03 | WBPLMFVTQMIPLW-MFYTUXHUSA-N |
