17I
Summary
| Name: | N-(2,6-diethylphenyl)-N'-(N-methylcarbamimidoyl)urea |
| Formula: | C13 H20 N4 O |
| Formal charge: | 0 |
| Formula weight: | 248.324 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(2,6-diethylphenyl)-N'-(N-methylcarbamimidoyl)urea |
| OpenEye OEToolkits | 2.0.7 | 1-(2,6-diethylphenyl)-3-(~{N}-methylcarbamimidoyl)urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1c(cccc1CC)CC)NC(=N)NC |
| InChI | InChI | 1.03 | InChI=1S/C13H20N4O/c1-4-9-7-6-8-10(5-2)11(9)16-13(18)17-12(14)15-3/h6-8H,4-5H2,1-3H3,(H4,14,15,16,17,18) |
| InChIKey | InChI | 1.03 | IFRGRUBTWVGYDT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1cccc(CC)c1NC(=O)NC(=N)NC |
| SMILES | CACTVS | 3.385 | CCc1cccc(CC)c1NC(=O)NC(=N)NC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\NC)/NC(=O)Nc1c(cccc1CC)CC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1cccc(c1NC(=O)NC(=N)NC)CC |
