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6-(5-Ethoxy-pyrazol-3-yl)-5-(1-pyrrolyl)-4-methyl-2-phenylthieno[2,3-d]pyrimidine
SpectraBase Compound ID AUur3xXbY1A
InChI InChI=1S/C22H19N5OS/c1-3-28-17-13-16(25-26-17)20-19(27-11-7-8-12-27)18-14(2)23-21(24-22(18)29-20)15-9-5-4-6-10-15/h4-13H,3H2,1-2H3,(H,25,26)
InChIKey VJJRHWBCONABQB-UHFFFAOYSA-N
Mol Weight 401.49 g/mol
Molecular Formula C22H19N5OS
Exact Mass 401.131031 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 90tQuM55OnR
Name 6-(5-Ethoxy-pyrazol-3-yl)-5-(1-pyrrolyl)-4-methyl-2-phenylthieno[2,3-d]pyrimidine
Alternate Name(s) 6-(5-Ethoxy-1H-pyrazol-3-yl)-4-methyl-2-phenyl-5-(1H-pyrrol-1-yl)thieno[2,3-d]pyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19N5OS
InChI InChI=1S/C22H19N5OS/c1-3-28-17-13-16(25-26-17)20-19(27-11-7-8-12-27)18-14(2)23-21(24-22(18)29-20)15-9-5-4-6-10-15/h4-13H,3H2,1-2H3,(H,25,26)
InChIKey VJJRHWBCONABQB-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200700154
Molecular Weight 401.488 g/mol
SMILES [nH]1c(cc(n1)-c1c(c2c(nc(nc2C)-c2ccccc2)s1)-[n]1cccc1)OCC
SPLASH splash10-0f89-2329200000-8b5a93adb4847d7e3855
Source of Spectrum QA-54-1081-7
Wiley ID 1796326