A1JHV
Summary
| Name: | 2,3-dimethyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid |
| Formula: | C9 H8 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 224.236 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2,3-dimethyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H8N2O3S/c1-4-5(2)15-9-10-3-6(8(13)14)7(12)11(4)9/h3H,1-2H3,(H,13,14) |
| InChIKey | InChI | 1.06 | NTILPFUDSBFNQU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=C(C)N2C(=NC=C(C(O)=O)C2=O)S1 |
| SMILES | CACTVS | 3.385 | CC1=C(C)N2C(=NC=C(C(O)=O)C2=O)S1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=C(SC2=NC=C(C(=O)N12)C(=O)O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=C(SC2=NC=C(C(=O)N12)C(=O)O)C |
