V9E
Summary
| Name: | 4-chloranyl-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine |
| Formula: | C13 H12 Cl N5 S |
| Formal charge: | 0 |
| Formula weight: | 305.786 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-chloranyl-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H12ClN5S/c1-19-7-8(5-9-3-2-4-20-9)12(18-19)10-6-11(14)17-13(15)16-10/h2-4,6-7H,5H2,1H3,(H2,15,16,17) |
| InChIKey | InChI | 1.06 | VPCGXMWBHSCODI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(Cc2sccc2)c(n1)c3cc(Cl)nc(N)n3 |
| SMILES | CACTVS | 3.385 | Cn1cc(Cc2sccc2)c(n1)c3cc(Cl)nc(N)n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1cc(c(n1)c2cc(nc(n2)N)Cl)Cc3cccs3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1cc(c(n1)c2cc(nc(n2)N)Cl)Cc3cccs3 |
