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2-Pyrimidineacetonitrile, 4-amino-5-cyano-.alpha.-[(dimethylamino)mercaptomethylene]-6-phenyl-
SpectraBase Compound ID 2ux6ikSMjW3
InChI InChI=1S/C16H14N6S/c1-22(2)23-10-12(8-17)16-20-14(11-6-4-3-5-7-11)13(9-18)15(19)21-16/h3-7,10H,1-2H3,(H2,19,20,21)/b12-10+
InChIKey JPIWVWLQIWIVIJ-ZRDIBKRKSA-N
Mol Weight 322.39 g/mol
Molecular Formula C16H14N6S
Exact Mass 322.100066 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5n3hHArnJ2s
Name 2-Pyrimidineacetonitrile, 4-amino-5-cyano-.alpha.-[(dimethylamino)mercaptomethylene]-6-phenyl-
Alternate Name(s) 4-Amino-2-{(E)-1-cyano-2-[(dimethylamino)sulfanyl]ethenyl}-6-phenyl-5-pyrimidinecarbonitrile 4-Amino-5-cyano-2-(1-cyano-2-dimethylamino-2-mercaptovinyl)-6-phenylpyrimdine
CAS Registry Number 122583-25-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14N6S
InChI InChI=1S/C16H14N6S/c1-22(2)23-10-12(8-17)16-20-14(11-6-4-3-5-7-11)13(9-18)15(19)21-16/h3-7,10H,1-2H3,(H2,19,20,21)/b12-10+
InChIKey JPIWVWLQIWIVIJ-ZRDIBKRKSA-N
Molecular Weight 322.390 g/mol
SMILES Nc1c(C#N)c(nc(n1)\C(=C\SN(C)C)C#N)-c1ccccc1
SPLASH splash10-0079-9027000000-7f5a666f47da9d869570
Source of Spectrum AJ-62-1090-6
Wiley ID 1321490