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3-(4-Methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-ylamino)-1-(thiophen-2-yl)prop-2-en-1-one
SpectraBase Compound ID 6fVC5Qu3Wcc
InChI InChI=1S/C19H15N5OS/c1-12-16-18(20-10-9-14(25)15-8-5-11-26-15)23-24-19(16)22-17(21-12)13-6-3-2-4-7-13/h2-11H,1H3,(H2,20,21,22,23,24)
InChIKey ZJMIHAUWXHUVOR-UHFFFAOYSA-N
Mol Weight 361.42 g/mol
Molecular Formula C19H15N5OS
Exact Mass 361.099731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B6KYRvc66g5
Name 3-(4-Methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-ylamino)-1-(thiophen-2-yl)prop-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15N5OS
InChI InChI=1S/C19H15N5OS/c1-12-16-18(20-10-9-14(25)15-8-5-11-26-15)23-24-19(16)22-17(21-12)13-6-3-2-4-7-13/h2-11H,1H3,(H2,20,21,22,23,24)
InChIKey ZJMIHAUWXHUVOR-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200300043
Molecular Weight 361.423 g/mol
SMILES N(c1c2c(nc(nc2n[nH]1)-c1ccccc1)C)C=CC(c1cccs1)=O
SPLASH splash10-0ik9-1689000000-9309a8defcb4334b6834
Source of Spectrum QA-50-292-19c
Synonyms 3-((4-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl)amino)-1-(thiophen-2-yl)prop-2-en-1-one
Wiley ID 1795749