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2,6-Diamino-4-(3-pyridinyl)-4H-thiopyran-3,5-dicarbonitrile
SpectraBase Compound ID 5zHK6yFCoDs
InChI InChI=1S/C12H9N5S/c13-4-8-10(7-2-1-3-17-6-7)9(5-14)12(16)18-11(8)15/h1-3,6,10H,15-16H2
InChIKey KDKVQTKLWWJERB-UHFFFAOYSA-N
Mol Weight 255.3 g/mol
Molecular Formula C12H9N5S
Exact Mass 255.057866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6jL77Bt1dY7
Name 2,6-Diamino-4-(3-pyridinyl)-4H-thiopyran-3,5-dicarbonitrile
CAS Registry Number 125219-61-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9N5S
InChI InChI=1S/C12H9N5S/c13-4-8-10(7-2-1-3-17-6-7)9(5-14)12(16)18-11(8)15/h1-3,6,10H,15-16H2
InChIKey KDKVQTKLWWJERB-UHFFFAOYSA-N
Molecular Weight 255.299 g/mol
SMILES NC=1SC(=C(C(C1C#N)c1cnccc1)C#N)N
SPLASH splash10-052r-6900000000-42faee3ede48935d2496
Source of Spectrum AD-0-2532-0
Synonyms 2,6-bis(azanyl)-4-pyridin-3-yl-4H-thiopyran-3,5-dicarbonitrile 2,6-Diamino-4-(3-pyridyl)-4H-thiopyran-3,5-dicarbonitrile 2,6-Diamino-4-pyridin-3-yl-4H-thiopyran-3,5-dicarbonitrile 4H-Thiopyran-3,5-dicarbonitrile, 2,6-diamino-4-(3-pyridyl)-
Wiley ID 1425252