QB9
Summary
| Name: | ~{N}-[3-(4-azanyl-2-oxidanylidene-1~{H}-pyrimidin-5-yl)prop-2-ynyl]cyclopropanesulfonamide |
| Synonyms: | N-(3-(4-amino-2-oxo-1,2-dihydropyrimidin-5-yl)prop-2-yn-1-yl)cyclopropanesulfonamide |
| Formula: | C10 H12 N4 O3 S |
| Formal charge: | 0 |
| Formula weight: | 268.292 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[3-(4-azanyl-2-oxidanylidene-1~{H}-pyrimidin-5-yl)prop-2-ynyl]cyclopropanesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H12N4O3S/c11-9-7(6-12-10(15)14-9)2-1-5-13-18(16,17)8-3-4-8/h6,8,13H,3-5H2,(H3,11,12,14,15) |
| InChIKey | InChI | 1.06 | IMYCWWNWNOANBE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=NC(=O)NC=C1C#CCN[S](=O)(=O)C2CC2 |
| SMILES | CACTVS | 3.385 | NC1=NC(=O)NC=C1C#CCN[S](=O)(=O)C2CC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CC1S(=O)(=O)NCC#CC2=CNC(=O)N=C2N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CC1S(=O)(=O)NCC#CC2=CNC(=O)N=C2N |
