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3,6-Diamino-5-cyano-thieno[2,3-b]pyridine-2-carboxylic acid (1-adamantan-1-yl-ethyl)-amide
SpectraBase Compound ID dSRqWKQW0S
InChI InChI=1S/C21H25N5OS/c1-10(21-6-11-2-12(7-21)4-13(3-11)8-21)25-19(27)17-16(23)15-5-14(9-22)18(24)26-20(15)28-17/h5,10-13H,2-4,6-8,23H2,1H3,(H2,24,26)(H,25,27)/t10?,11-,12+,13-,21-
InChIKey TVFBVHJTJGGRQJ-YESGLMBKSA-N
Mol Weight 395.53 g/mol
Molecular Formula C21H25N5OS
Exact Mass 395.177982 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2rnMxrEi511
Name 3,6-Diamino-5-cyano-thieno[2,3-b]pyridine-2-carboxylic acid (1-adamantan-1-yl-ethyl)-amide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25N5OS
InChI InChI=1S/C21H25N5OS/c1-10(21-6-11-2-12(7-21)4-13(3-11)8-21)25-19(27)17-16(23)15-5-14(9-22)18(24)26-20(15)28-17/h5,10-13H,2-4,6-8,23H2,1H3,(H2,24,26)(H,25,27)/t10?,11-,12+,13-,21-
InChIKey TVFBVHJTJGGRQJ-YESGLMBKSA-N
Molecular Weight 395.525 g/mol
SMILES N(C(c1sc2c(cc(c(n2)N)C#N)c1N)=O)C(C)C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]
SPLASH splash10-014u-7960000000-a8cf963cc860ed34a0ed
Synonyms N-[1-(1-adamantyl)ethyl]-3,6-bis(azanyl)-5-cyano-thieno[2,3-b]pyridine-2-carboxamide N-[1-(1-adamantyl)ethyl]-3,6-diamino-5-cyano-2-thieno[2,3-b]pyridinecarboxamide N-[1-(1-adamantyl)ethyl]-3,6-diamino-5-cyano-thieno[2,3-b]pyridine-2-carboxamide
Wiley ID 1459579