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6-[2-Cyano-5-(4-dimethylaminophenyl)-2,4-pentadienenitrile]-5-(1-pyrrolyl)-4-methyl-2-phenylthieno[2,3-d]-pyrimidine
SpectraBase Compound ID DM1QbPhsTaZ
InChI InChI=1S/C31H24N6S/c1-21-27-28(37-17-7-8-18-37)29(38-31(27)35-30(34-21)23-9-5-4-6-10-23)26(24(19-32)20-33)16-13-22-11-14-25(15-12-22)36(2)3/h4-18H,1-3H3
InChIKey QXLWGXVDAOIDOW-UHFFFAOYSA-N
Mol Weight 512.64 g/mol
Molecular Formula C31H24N6S
Exact Mass 512.178316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FFcITIvIUVx
Name 6-[2-Cyano-5-(4-dimethylaminophenyl)-2,4-pentadienenitrile]-5-(1-pyrrolyl)-4-methyl-2-phenylthieno[2,3-d]-pyrimidine
Alternate Name(s) 2-(3-(4-(dimethylamino)phenyl)-1-(4-methyl-2-phenyl-5-(1H-pyrrol-1-yl)thieno[2,3-d]pyrimidin-6-yl)allylidene)malononitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H24N6S
InChI InChI=1S/C31H24N6S/c1-21-27-28(37-17-7-8-18-37)29(38-31(27)35-30(34-21)23-9-5-4-6-10-23)26(24(19-32)20-33)16-13-22-11-14-25(15-12-22)36(2)3/h4-18H,1-3H3
InChIKey QXLWGXVDAOIDOW-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200500048
Molecular Weight 512.635 g/mol
SMILES C(=C(C#N)C#N)(c1c(-[n]2cccc2)c2c(s1)nc(-c1ccccc1)nc2C)C=Cc1ccc(cc1)N(C)C
SPLASH splash10-03e9-1415910000-71a68b5b8335261a6713
Source of Spectrum QA-52-320-11
Wiley ID 1796089