07M

8-{[(2-cyanopyridin-3-yl)methyl]sulfanyl}-6-hydroxy-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile


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Chemical Component Summary

Name8-{[(2-cyanopyridin-3-yl)methyl]sulfanyl}-6-hydroxy-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Identifiers8-[(2-cyanopyridin-3-yl)methylsulfanyl]-6-oxidanyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
FormulaC16 H12 N4 O2 S
Molecular Weight324.357
TypeNON-POLYMER
Isomeric SMILESc1cc(c(nc1)C#N)CSc2c3c(c(c(n2)O)C#N)CCOC3
InChIInChI=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)
InChIKeyRMZOHPFYZBRDJW-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count35
Chiral Atom Count0
Bond Count37
Aromatic Bond Count12

Related Resource References

Resource NameReference
Pharos CHEMBL1911701
PubChem 53470409
ChEMBL CHEMBL1911701