V6U
Summary
| Name: | methyl 2-[[3-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-1-methyl-pyrazol-4-yl]methyl]benzoate |
| Formula: | C17 H16 Cl N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 357.794 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl 2-[[3-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-1-methyl-pyrazol-4-yl]methyl]benzoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H16ClN5O2/c1-23-9-11(7-10-5-3-4-6-12(10)16(24)25-2)15(22-23)13-8-14(18)21-17(19)20-13/h3-6,8-9H,7H2,1-2H3,(H2,19,20,21) |
| InChIKey | InChI | 1.06 | FIUGGTKIGCZJJN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1ccccc1Cc2cn(C)nc2c3cc(Cl)nc(N)n3 |
| SMILES | CACTVS | 3.385 | COC(=O)c1ccccc1Cc2cn(C)nc2c3cc(Cl)nc(N)n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1cc(c(n1)c2cc(nc(n2)N)Cl)Cc3ccccc3C(=O)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1cc(c(n1)c2cc(nc(n2)N)Cl)Cc3ccccc3C(=O)OC |
