6LP
Summary
| Name: | N~1~-(4-{2-[(3-chlorophenyl)amino]pyrimidin-4-yl}pyridin-2-yl)ethane-1,2-diamine |
| Formula: | C17 H17 Cl N6 |
| Formal charge: | 0 |
| Formula weight: | 340.81 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~1~-(4-{2-[(3-chlorophenyl)amino]pyrimidin-4-yl}pyridin-2-yl)ethane-1,2-diamine |
| OpenEye OEToolkits | 2.0.4 | ~{N}'-[4-[2-[(3-chlorophenyl)amino]pyrimidin-4-yl]pyridin-2-yl]ethane-1,2-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(nc(ncc1)Nc2cc(ccc2)Cl)c3cc(ncc3)NCCN |
| InChI | InChI | 1.03 | InChI=1S/C17H17ClN6/c18-13-2-1-3-14(11-13)23-17-22-8-5-15(24-17)12-4-7-20-16(10-12)21-9-6-19/h1-5,7-8,10-11H,6,9,19H2,(H,20,21)(H,22,23,24) |
| InChIKey | InChI | 1.03 | OGZKVNUWPYUXNL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCNc1cc(ccn1)c2ccnc(Nc3cccc(Cl)c3)n2 |
| SMILES | CACTVS | 3.385 | NCCNc1cc(ccn1)c2ccnc(Nc3cccc(Cl)c3)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(cc(c1)Cl)Nc2nccc(n2)c3ccnc(c3)NCCN |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(cc(c1)Cl)Nc2nccc(n2)c3ccnc(c3)NCCN |
