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Summary
| Name: | 1-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-(2-HYDROXYETHYL)-2-METHYLPYRIDINIUM |
| Formula: | C14 H19 N4 O |
| Formal charge: | 1 |
| Formula weight: | 259.327 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-hydroxyethyl)-2-methylpyridinium |
| OpenEye OEToolkits | 1.5.0 | 2-[1-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-2-methyl-pyridin-1-ium-3-yl]ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n1c(N)c(cnc1C)C[n+]2cccc(c2C)CCO |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1ncc(C[n+]2cccc(CCO)c2C)c(N)n1 |
| SMILES | CACTVS | 3.341 | Cc1ncc(C[n+]2cccc(CCO)c2C)c(N)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(ccc[n+]1Cc2cnc(nc2N)C)CCO |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(ccc[n+]1Cc2cnc(nc2N)C)CCO |
| InChI | InChI | 1.03 | InChI=1S/C14H19N4O/c1-10-12(5-7-19)4-3-6-18(10)9-13-8-16-11(2)17-14(13)15/h3-4,6,8,19H,5,7,9H2,1-2H3,(H2,15,16,17)/q+1 |
| InChIKey | InChI | 1.03 | PZWYDZMWPANLMB-UHFFFAOYSA-N |
