A1CI7
Summary
| Name: | 6-(propylsulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Formula: | C8 H10 N4 O S |
| Formal charge: | 0 |
| Formula weight: | 210.256 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 6-(propylsulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| OpenEye OEToolkits | 3.1.0.0 | 6-propylsulfanyl-1,5-dihydropyrazolo[3,4-d]pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CCCSC1=Nc2[NH]ncc2C(=O)N1 |
| InChI | InChI | 1.06 | InChI=1S/C8H10N4OS/c1-2-3-14-8-10-6-5(4-9-12-6)7(13)11-8/h4H,2-3H2,1H3,(H2,9,10,11,12,13) |
| InChIKey | InChI | 1.06 | CNXWMVZWQIUZRK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCSC1=Nc2[nH]ncc2C(=O)N1 |
| SMILES | CACTVS | 3.385 | CCCSC1=Nc2[nH]ncc2C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCCSC1=Nc2c(cn[nH]2)C(=O)N1 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCCSC1=Nc2c(cn[nH]2)C(=O)N1 |
