1S2
Summary
| Name: | 4-chloranyl-6-[1,5-dimethyl-4-(phenylmethyl)pyrazol-3-yl]pyrimidin-2-amine |
| Synonyms: | inhibitor TDI10229 |
| Formula: | C16 H16 Cl N5 |
| Formal charge: | 0 |
| Formula weight: | 313.785 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-chloranyl-6-[1,5-dimethyl-4-(phenylmethyl)pyrazol-3-yl]pyrimidin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H16ClN5/c1-10-12(8-11-6-4-3-5-7-11)15(21-22(10)2)13-9-14(17)20-16(18)19-13/h3-7,9H,8H2,1-2H3,(H2,18,19,20) |
| InChIKey | InChI | 1.03 | VSMTYSWGHKYXOF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(c(Cc2ccccc2)c1C)c3cc(Cl)nc(N)n3 |
| SMILES | CACTVS | 3.385 | Cn1nc(c(Cc2ccccc2)c1C)c3cc(Cl)nc(N)n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c(nn1C)c2cc(nc(n2)N)Cl)Cc3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c(nn1C)c2cc(nc(n2)N)Cl)Cc3ccccc3 |
