10I
Summary
Name: | N-(2,6-diethylphenyl)-N'-(N-propylcarbamimidoyl)urea |
Formula: | C15 H24 N4 O |
Formal charge: | 0 |
Formula weight: | 276.377 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | N-(2,6-diethylphenyl)-N'-(N-propylcarbamimidoyl)urea |
OpenEye OEToolkits | 2.0.7 | 1-(2,6-diethylphenyl)-3-(~{N}-propylcarbamimidoyl)urea |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Nc1c(cccc1CC)CC)NC(=N)NCCC |
InChI | InChI | 1.03 | InChI=1S/C15H24N4O/c1-4-10-17-14(16)19-15(20)18-13-11(5-2)8-7-9-12(13)6-3/h7-9H,4-6,10H2,1-3H3,(H4,16,17,18,19,20) |
InChIKey | InChI | 1.03 | DWPYTUBIBPCLBG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCNC(=N)NC(=O)Nc1c(CC)cccc1CC |
SMILES | CACTVS | 3.385 | CCCNC(=N)NC(=O)Nc1c(CC)cccc1CC |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\NCCC)/NC(=O)Nc1c(cccc1CC)CC |
SMILES | OpenEye OEToolkits | 2.0.7 | CCCNC(=N)NC(=O)Nc1c(cccc1CC)CC |