38B
Summary
| Name: | 3-(2-methoxyphenyl)-6-methyl[1,2]oxazolo[5,4-d]pyrimidin-4(5H)-one |
| Formula: | C13 H11 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 257.245 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(2-methoxyphenyl)-6-methyl[1,2]oxazolo[5,4-d]pyrimidin-4(5H)-one |
| OpenEye OEToolkits | 1.9.2 | 3-(2-methoxyphenyl)-6-methyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2NC(=Nc1onc(c12)c3ccccc3OC)C |
| InChI | InChI | 1.03 | InChI=1S/C13H11N3O3/c1-7-14-12(17)10-11(16-19-13(10)15-7)8-5-3-4-6-9(8)18-2/h3-6H,1-2H3,(H,14,15,17) |
| InChIKey | InChI | 1.03 | XCLPDGVIHJQQOR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1c2noc3N=C(C)NC(=O)c23 |
| SMILES | CACTVS | 3.385 | COc1ccccc1c2noc3N=C(C)NC(=O)c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC1=Nc2c(c(no2)c3ccccc3OC)C(=O)N1 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC1=Nc2c(c(no2)c3ccccc3OC)C(=O)N1 |
