For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4,6-Diamino-2-oxo-1-[1-(1-(4-(piperidin-1-ylsulfonyl)phenyl)ethylidene-amino)-1,2-dihydropyridine-3-carbonitrile
SpectraBase Compound ID 6rbWobHxFdT
InChI InChI=1S/C19H22N6O3S/c1-13(23-25-18(22)11-17(21)16(12-20)19(25)26)14-5-7-15(8-6-14)29(27,28)24-9-3-2-4-10-24/h5-8,11H,2-4,9-10,21-22H2,1H3/b23-13+
InChIKey LJYWXKGVKZJGMU-YDZHTSKRSA-N
Mol Weight 414.48 g/mol
Molecular Formula C19H22N6O3S
Exact Mass 414.14741 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Hlq0clVdHGl
Name 4,6-Diamino-2-oxo-1-[1-(1-(4-(piperidin-1-ylsulfonyl)phenyl)ethylidene-amino)-1,2-dihydropyridine-3-carbonitrile
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22N6O3S
InChI InChI=1S/C19H22N6O3S/c1-13(23-25-18(22)11-17(21)16(12-20)19(25)26)14-5-7-15(8-6-14)29(27,28)24-9-3-2-4-10-24/h5-8,11H,2-4,9-10,21-22H2,1H3/b23-13+
InChIKey LJYWXKGVKZJGMU-YDZHTSKRSA-N
Molecular Weight 414.484 g/mol
SMILES NC1=CC(=C(C(N1\N=C\(c1ccc(S(N2CCCCC2)(=O)=O)cc1)C)=O)C#N)N
SPLASH splash10-0002-9000000000-8104bd3194c187547c99
Source of Spectrum F2-46-140-16
Synonyms 4,6-diamino-2-oxo-1-[(E)-1-[4-(1-piperidinylsulfonyl)phenyl]ethylideneamino]-3-pyridinecarbonitrile 4,6-diamino-2-oxo-1-[(E)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]pyridine-3-carbonitrile 4,6-diamino-2-oxo-1-[(E)-1-[4-(1-piperidylsulfonyl)phenyl]ethylideneamino]pyridine-3-carbonitrile 4,6-bis(azanyl)-2-oxidanylidene-1-[(E)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]pyridine-3-carbonitrile
Wiley ID 1690186