UMZ
Summary
| Name: | 3-(2-pyrimidin-4-ylethyl)-1~{H}-indole |
| Formula: | C14 H13 N3 |
| Formal charge: | 0 |
| Formula weight: | 223.273 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-(2-pyrimidin-4-ylethyl)-1~{H}-indole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H13N3/c1-2-4-14-13(3-1)11(9-16-14)5-6-12-7-8-15-10-17-12/h1-4,7-10,16H,5-6H2 |
| InChIKey | InChI | 1.03 | VEEXILNZSSXTHF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C(Cc1c[nH]c2ccccc12)c3ccncn3 |
| SMILES | CACTVS | 3.385 | C(Cc1c[nH]c2ccccc12)c3ccncn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(c[nH]2)CCc3ccncn3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(c[nH]2)CCc3ccncn3 |
