MXD
Summary
| Name: | 6-PIPERIDIN-1-YLPYRIMIDINE-2,4-DIAMINE 3-OXIDE |
| Synonyms: | MINOXIDIL |
| Formula: | C9 H15 N5 O |
| Formal charge: | 0 |
| Formula weight: | 209.248 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 6-piperidin-1-ylpyrimidine-2,4-diamine 3-oxide |
| OpenEye OEToolkits | 1.5.0 | 3-oxido-6-piperidin-1-yl-pyrimidin-3-ium-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-][n+]1c(nc(cc1N)N2CCCCC2)N |
| SMILES_CANONICAL | CACTVS | 3.341 | Nc1cc(nc(N)[n+]1[O-])N2CCCCC2 |
| SMILES | CACTVS | 3.341 | Nc1cc(nc(N)[n+]1[O-])N2CCCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c([n+](c(nc1N2CCCCC2)N)[O-])N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c([n+](c(nc1N2CCCCC2)N)[O-])N |
| InChI | InChI | 1.03 | InChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6H,1-5,10H2,(H2,11,12) |
| InChIKey | InChI | 1.03 | ZFMITUMMTDLWHR-UHFFFAOYSA-N |
