MP5
Summary
| Name: | (4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL DIHYDROGEN PHOSPHATE |
| Formula: | C6 H10 N3 O4 P |
| Formal charge: | 0 |
| Formula weight: | 219.135 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (4-amino-2-methylpyrimidin-5-yl)methyl dihydrogen phosphate |
| OpenEye OEToolkits | 1.5.0 | (4-amino-2-methyl-pyrimidin-5-yl)methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OCc1cnc(nc1N)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1ncc(CO[P](O)(O)=O)c(N)n1 |
| SMILES | CACTVS | 3.341 | Cc1ncc(CO[P](O)(O)=O)c(N)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ncc(c(n1)N)COP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ncc(c(n1)N)COP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H10N3O4P/c1-4-8-2-5(6(7)9-4)3-13-14(10,11)12/h2H,3H2,1H3,(H2,7,8,9)(H2,10,11,12) |
| InChIKey | InChI | 1.03 | PKYFHKIYHBRTPI-UHFFFAOYSA-N |
