N2Y
Summary
| Name: | (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine |
| Formula: | C9 H11 Cl N4 |
| Formal charge: | 0 |
| Formula weight: | 210.663 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine |
| OpenEye OEToolkits | 1.7.6 | 1-[(6-chloranylpyridin-3-yl)methyl]imidazolidin-2-imine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ncc(cc1)CN2C(=[N@H])NCC2 |
| InChI | InChI | 1.03 | InChI=1S/C9H11ClN4/c10-8-2-1-7(5-13-8)6-14-4-3-12-9(14)11/h1-2,5H,3-4,6H2,(H2,11,12) |
| InChIKey | InChI | 1.03 | UEQZFAGVRGWPDK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(CN2CCNC2=N)cn1 |
| SMILES | CACTVS | 3.385 | Clc1ccc(CN2CCNC2=N)cn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C\1/NCCN1Cc2ccc(nc2)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ncc1CN2CCNC2=N)Cl |
