S6Y
Summary
| Name: | 6-(2-methylpropyl)-2-oxidanylidene-5~{H}-pyrimidine-4-carboxylic acid |
| Formula: | C9 H12 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 196.203 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(2-methylpropyl)-2-oxidanylidene-1~{H}-pyrimidine-6-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H12N2O3/c1-5(2)3-6-4-7(8(12)13)11-9(14)10-6/h4-5H,3H2,1-2H3,(H,12,13)(H,10,11,14) |
| InChIKey | InChI | 1.03 | WDIFSCKLWBVBLR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)CC1=NC(=O)NC(=C1)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)CC1=NC(=O)NC(=C1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)CC1=NC(=O)NC(=C1)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CC1=NC(=O)NC(=C1)C(=O)O |
