S6V
Summary
| Name: | 1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea |
| Formula: | C13 H17 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 247.293 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H17N3O2/c17-12-7-4-9-16(12)10-8-14-13(18)15-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H2,14,15,18) |
| InChIKey | InChI | 1.03 | OYRHWZOYGOUXNC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCCN1CCCC1=O)Nc2ccccc2 |
| SMILES | CACTVS | 3.385 | O=C(NCCN1CCCC1=O)Nc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)NC(=O)NCCN2CCCC2=O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)NC(=O)NCCN2CCCC2=O |
