46S
Summary
| Name: | 1-(6-methylpyrimidin-4-yl)azepane |
| Formula: | C11 H17 N3 |
| Formal charge: | 0 |
| Formula weight: | 191.273 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(6-methylpyrimidin-4-yl)azepane |
| OpenEye OEToolkits | 1.9.2 | 1-(6-methylpyrimidin-4-yl)azepane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(cc(nc1)C)N2CCCCCC2 |
| InChI | InChI | 1.03 | InChI=1S/C11H17N3/c1-10-8-11(13-9-12-10)14-6-4-2-3-5-7-14/h8-9H,2-7H2,1H3 |
| InChIKey | InChI | 1.03 | JCQNRSJJJIDBPG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(ncn1)N2CCCCCC2 |
| SMILES | CACTVS | 3.385 | Cc1cc(ncn1)N2CCCCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1cc(ncn1)N2CCCCCC2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1cc(ncn1)N2CCCCCC2 |
