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6-bis[2-amino-3-cyano-5-(1-propenyl)pyrazyl] sulfide
SpectraBase Compound ID Gq3ppH84Q6f
InChI InChI=1S/C16H14N8S/c1-3-5-9-15(23-13(19)11(7-17)21-9)25-16-10(6-4-2)22-12(8-18)14(20)24-16/h3-6H,1-2H3,(H2,19,23)(H2,20,24)/b5-3+,6-4+
InChIKey CQGBTZVWNCXLDS-GGWOSOGESA-N
Mol Weight 350.4 g/mol
Molecular Formula C16H14N8S
Exact Mass 350.106214 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3mnXOD3FhlY
Name 6-bis[2-amino-3-cyano-5-(1-propenyl)pyrazyl] sulfide
CAS Registry Number 116749-53-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14N8S
InChI InChI=1S/C16H14N8S/c1-3-5-9-15(23-13(19)11(7-17)21-9)25-16-10(6-4-2)22-12(8-18)14(20)24-16/h3-6H,1-2H3,(H2,19,23)(H2,20,24)/b5-3+,6-4+
InChIKey CQGBTZVWNCXLDS-GGWOSOGESA-N
Molecular Weight 350.404 g/mol
SMILES Nc1nc(Sc2c(nc(c(n2)N)C#N)\C=C\C)c(nc1C#N)\C=C\C
SPLASH splash10-0f76-0709000000-852ff01b3dc37d139014
Source of Spectrum J-53-5844-23
Synonyms 3-Amino-5-({6-amino-5-cyano-3-[(1E)-1-propenyl]-2-pyrazinyl}sulfanyl)-6-[(1E)-1-propenyl]-2-pyrazinecarbonitrile
Wiley ID 1341742