FD7
Summary
| Name: | N-(2,6-diethylphenyl)-N'-(N-ethylcarbamimidoyl)urea |
| Formula: | C14 H22 N4 O |
| Formal charge: | 0 |
| Formula weight: | 262.351 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(2,6-diethylphenyl)-N'-(N-ethylcarbamimidoyl)urea |
| OpenEye OEToolkits | 2.0.6 | 1-(2,6-diethylphenyl)-3-(~{N}-ethylcarbamimidoyl)urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(c(cccc1CC)CC)NC(=O)N/C(=N)NCC |
| InChI | InChI | 1.03 | InChI=1S/C14H22N4O/c1-4-10-8-7-9-11(5-2)12(10)17-14(19)18-13(15)16-6-3/h7-9H,4-6H2,1-3H3,(H4,15,16,17,18,19) |
| InChIKey | InChI | 1.03 | VHGRQUGTHVVVTE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNC(=N)NC(=O)Nc1c(CC)cccc1CC |
| SMILES | CACTVS | 3.385 | CCNC(=N)NC(=O)Nc1c(CC)cccc1CC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | [H]/N=C(/NCC)\NC(=O)Nc1c(cccc1CC)CC |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCc1cccc(c1NC(=O)NC(=N)NCC)CC |
