XRG
Summary
| Name: | 1-methyl-3-(N-methylcarbamimidoyl)urea |
| Formula: | C4 H10 N4 O |
| Formal charge: | 0 |
| Formula weight: | 130.148 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-methyl-3-(N-methylcarbamimidoyl)urea |
| OpenEye OEToolkits | 1.5.0 | 1-methyl-3-(N-methylcarbamimidoyl)urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC)NC(=[N@H])NC |
| SMILES_CANONICAL | CACTVS | 3.341 | CNC(=N)NC(=O)NC |
| SMILES | CACTVS | 3.341 | CNC(=N)NC(=O)NC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(\NC)/NC(=O)NC |
| SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(NC)NC(=O)NC |
| InChI | InChI | 1.03 | InChI=1S/C4H10N4O/c1-6-3(5)8-4(9)7-2/h1-2H3,(H4,5,6,7,8,9) |
| InChIKey | InChI | 1.03 | KGCIDHJBLPVUNN-UHFFFAOYSA-N |
