KXU
Summary
| Name: | 5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-[(2-methylpyridin-4-yl)methyl]-1,2-oxazole-3-carboxamide |
| Formula: | C18 H19 N5 O2 S |
| Formal charge: | 0 |
| Formula weight: | 369.441 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-[(2-methylpyridin-4-yl)methyl]-1,2-oxazole-3-carboxamide |
| OpenEye OEToolkits | 1.7.6 | 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(2-methylpyridin-4-yl)methyl]-1,2-oxazole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1noc(c1)CSc2nc(cc(n2)C)C)NCc3ccnc(c3)C |
| InChI | InChI | 1.03 | InChI=1S/C18H19N5O2S/c1-11-7-14(4-5-19-11)9-20-17(24)16-8-15(25-23-16)10-26-18-21-12(2)6-13(3)22-18/h4-8H,9-10H2,1-3H3,(H,20,24) |
| InChIKey | InChI | 1.03 | FPLTYHWZNYWMJS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(CNC(=O)c2cc(CSc3nc(C)cc(C)n3)on2)ccn1 |
| SMILES | CACTVS | 3.385 | Cc1cc(CNC(=O)c2cc(CSc3nc(C)cc(C)n3)on2)ccn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(nc(n1)SCc2cc(no2)C(=O)NCc3ccnc(c3)C)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(nc(n1)SCc2cc(no2)C(=O)NCc3ccnc(c3)C)C |
