EDM
Summary
| Name: | 6-ethenyl-N,N-dimethyl-2-(methylsulfonyl)pyrimidin-4-amine |
| Formula: | C9 H13 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 227.283 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | 6-ethenyl-N,N-dimethyl-2-(methylsulfonyl)pyrimidin-4-amine |
| OpenEye OEToolkits | 1.6.1 | 6-ethenyl-N,N-dimethyl-2-methylsulfonyl-pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=S(=O)(c1nc(\C=C)cc(n1)N(C)C)C |
| SMILES_CANONICAL | CACTVS | 3.352 | CN(C)c1cc(C=C)nc(n1)[S](C)(=O)=O |
| SMILES | CACTVS | 3.352 | CN(C)c1cc(C=C)nc(n1)[S](C)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CN(C)c1cc(nc(n1)S(=O)(=O)C)C=C |
| SMILES | OpenEye OEToolkits | 1.7.0 | CN(C)c1cc(nc(n1)S(=O)(=O)C)C=C |
| InChI | InChI | 1.03 | InChI=1S/C9H13N3O2S/c1-5-7-6-8(12(2)3)11-9(10-7)15(4,13)14/h5-6H,1H2,2-4H3 |
| InChIKey | InChI | 1.03 | LWXYVFFCCMAZFC-UHFFFAOYSA-N |
