9HX
Summary
| Name: | 9-DEAZAHYPOXANTHINE |
| Formula: | C6 H5 N3 O |
| Formal charge: | 0 |
| Formula weight: | 135.123 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one |
| OpenEye OEToolkits | 1.5.0 | 3,5-dihydropyrrolo[2,3-e]pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1c2c(N=CN1)ccn2 |
| SMILES_CANONICAL | CACTVS | 3.341 | O=C1NC=Nc2cc[nH]c12 |
| SMILES | CACTVS | 3.341 | O=C1NC=Nc2cc[nH]c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c[nH]c2c1N=CNC2=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c[nH]c2c1N=CNC2=O |
| InChI | InChI | 1.03 | InChI=1S/C6H5N3O/c10-6-5-4(1-2-7-5)8-3-9-6/h1-3,7H,(H,8,9,10) |
| InChIKey | InChI | 1.03 | UWMXUDUWVFWJPX-UHFFFAOYSA-N |
