07M
Summary
| Name: | 8-{[(2-cyanopyridin-3-yl)methyl]sulfanyl}-6-hydroxy-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile |
| Formula: | C16 H12 N4 O2 S |
| Formal charge: | 0 |
| Formula weight: | 324.357 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 8-{[(2-cyanopyridin-3-yl)methyl]sulfanyl}-6-hydroxy-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile |
| OpenEye OEToolkits | 1.7.2 | 8-[(2-cyanopyridin-3-yl)methylsulfanyl]-6-oxidanyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#Cc1ncccc1CSc2nc(O)c(C#N)c3c2COCC3 |
| InChI | InChI | 1.03 | InChI=1S/C16H12N4O2S/c17-6-12-11-3-5-22-8-13(11)16(20-15(12)21)23-9-10-2-1-4-19-14(10)7-18/h1-2,4H,3,5,8-9H2,(H,20,21) |
| InChIKey | InChI | 1.03 | RMZOHPFYZBRDJW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Oc1nc(SCc2cccnc2C#N)c3COCCc3c1C#N |
| SMILES | CACTVS | 3.370 | Oc1nc(SCc2cccnc2C#N)c3COCCc3c1C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1cc(c(nc1)C#N)CSc2c3c(c(c(n2)O)C#N)CCOC3 |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1cc(c(nc1)C#N)CSc2c3c(c(c(n2)O)C#N)CCOC3 |
