BDJ
Summary
| Name: | (2Z)-3-(3-chlorobenzyl)-2-imino-5,5-dimethylimidazolidin-4-one |
| Formula: | C12 H14 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 251.712 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 3-[(3-chlorophenyl)methyl]-2-imino-5,5-dimethyl-imidazolidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | CC1(C)NC(=N)N(Cc2cccc(Cl)c2)C1=O |
| SMILES | CACTVS | 3.352 | CC1(C)NC(=N)N(Cc2cccc(Cl)c2)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [H]/N=C\1/NC(C(=O)N1Cc2cccc(c2)Cl)(C)C |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC1(C(=O)N(C(=N)N1)Cc2cccc(c2)Cl)C |
| InChI | InChI | 1.03 | InChI=1S/C12H14ClN3O/c1-12(2)10(17)16(11(14)15-12)7-8-4-3-5-9(13)6-8/h3-6H,7H2,1-2H3,(H2,14,15) |
| InChIKey | InChI | 1.03 | NFQQEWLVDJRZJJ-UHFFFAOYSA-N |
