WWS
Summary
| Name: | 3-[(5-chloropyridin-2-yl)methyl]-3H-purin-6-amine |
| Formula: | C11 H9 Cl N6 |
| Formal charge: | 0 |
| Formula weight: | 260.682 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[(5-chloropyridin-2-yl)methyl]-3H-purin-6-amine |
| OpenEye OEToolkits | 2.0.7 | 3-[(5-chloranylpyridin-2-yl)methyl]purin-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(ncc(cc1)Cl)CN3C=NC(=C2N=CN=C23)N |
| InChI | InChI | 1.03 | InChI=1S/C11H9ClN6/c12-7-1-2-8(14-3-7)4-18-6-17-10(13)9-11(18)16-5-15-9/h1-3,5-6H,4,13H2 |
| InChIKey | InChI | 1.03 | RILIKBFMMNNYNO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncn(Cc2ccc(Cl)cn2)c3ncnc13 |
| SMILES | CACTVS | 3.385 | Nc1ncn(Cc2ccc(Cl)cn2)c3ncnc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ncc1Cl)Cn2cnc(c-3ncnc23)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ncc1Cl)Cn2cnc(c-3ncnc23)N |
