FMJ
Summary
| Name: | 4-(5-methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine |
| Formula: | C14 H12 N4 O |
| Formal charge: | 0 |
| Formula weight: | 252.271 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-(5-methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine |
| OpenEye OEToolkits | 1.5.0 | 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n1oc(c(c1c2ccccc2)c3nc(ncc3)N)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1onc(c2ccccc2)c1c3ccnc(N)n3 |
| SMILES | CACTVS | 3.341 | Cc1onc(c2ccccc2)c1c3ccnc(N)n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(c(no1)c2ccccc2)c3ccnc(n3)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(c(no1)c2ccccc2)c3ccnc(n3)N |
| InChI | InChI | 1.03 | InChI=1S/C14H12N4O/c1-9-12(11-7-8-16-14(15)17-11)13(18-19-9)10-5-3-2-4-6-10/h2-8H,1H3,(H2,15,16,17) |
| InChIKey | InChI | 1.03 | XWMBSXFOZPVNQH-UHFFFAOYSA-N |
