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2-Pyrimidineacetonitrile, 4-amino-5-cyano-.alpha.-[(diethylamino)mercaptomethylene]-6-phenyl-
SpectraBase Compound ID 84h5SpbOpQG
InChI InChI=1S/C18H18N6S/c1-3-24(4-2)25-12-14(10-19)18-22-16(13-8-6-5-7-9-13)15(11-20)17(21)23-18/h5-9,12H,3-4H2,1-2H3,(H2,21,22,23)/b14-12+
InChIKey MHFPBILSMZHIIJ-WYMLVPIESA-N
Mol Weight 350.44 g/mol
Molecular Formula C18H18N6S
Exact Mass 350.131366 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6dXxhqUOu9S
Name 2-Pyrimidineacetonitrile, 4-amino-5-cyano-.alpha.-[(diethylamino)mercaptomethylene]-6-phenyl-
CAS Registry Number 122583-33-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18N6S
InChI InChI=1S/C18H18N6S/c1-3-24(4-2)25-12-14(10-19)18-22-16(13-8-6-5-7-9-13)15(11-20)17(21)23-18/h5-9,12H,3-4H2,1-2H3,(H2,21,22,23)/b14-12+
InChIKey MHFPBILSMZHIIJ-WYMLVPIESA-N
Molecular Weight 350.444 g/mol
SMILES Nc1c(C#N)c(nc(n1)\C(=C\SN(CC)CC)C#N)-c1ccccc1
SPLASH splash10-0udi-0394000000-e98b04b21a4604bb8b89
Source of Spectrum AJ-62-1090-6
Synonyms 4-Amino-2-{(E)-1-cyano-2-[(diethylamino)sulfanyl]ethenyl}-6-phenyl-5-pyrimidinecarbonitrile 4-Amino-5-cyano-2-(1-cyano-2-diethylamino-2-mercaptovinyl)-6-phenylpyrimidine
Wiley ID 1341848