KLS
Summary
| Name: | 1-METHYL-3-(N-PHENYLCARBAMIMIDOYL)UREA |
| Formula: | C9 H12 N4 O |
| Formal charge: | 0 |
| Formula weight: | 192.218 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-methyl-3-(N-phenylcarbamimidoyl)urea |
| OpenEye OEToolkits | 1.6.1 | 1-methyl-3-(N-phenylcarbamimidoyl)urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC)NC(=[N@H])Nc1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.352 | CNC(=O)NC(=N)Nc1ccccc1 |
| SMILES | CACTVS | 3.352 | CNC(=O)NC(=N)Nc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CNC(=O)NC(=N)Nc1ccccc1 |
| SMILES | OpenEye OEToolkits | 1.6.1 | CNC(=O)NC(=N)Nc1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C9H12N4O/c1-11-9(14)13-8(10)12-7-5-3-2-4-6-7/h2-6H,1H3,(H4,10,11,12,13,14) |
| InChIKey | InChI | 1.03 | BBCGZOVGNWCXHT-UHFFFAOYSA-N |
