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3-Methyl-1-phenyl-5-(4-methylphenyl)-6-thioxo-5,6-dihydro-1H-pyrazolo[3,4-d]pyrimidine
SpectraBase Compound ID wscxBzshVx
InChI InChI=1S/C19H16N4S/c1-13-8-10-15(11-9-13)22-12-17-14(2)21-23(18(17)20-19(22)24)16-6-4-3-5-7-16/h3-12H,1-2H3
InChIKey WWGTYSQSBDBQML-UHFFFAOYSA-N
Mol Weight 332.43 g/mol
Molecular Formula C19H16N4S
Exact Mass 332.109568 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3GODgA7VtXb
Name 3-Methyl-1-phenyl-5-(4-methylphenyl)-6-thioxo-5,6-dihydro-1H-pyrazolo[3,4-d]pyrimidine
Alternate Name(s) 3-Methyl-5-(4-methylphenyl)-1-phenyl-1,5-dihydro-6H-pyrazolo[3,4-d]pyrimidine-6-thione
CAS Registry Number 114362-65-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16N4S
InChI InChI=1S/C19H16N4S/c1-13-8-10-15(11-9-13)22-12-17-14(2)21-23(18(17)20-19(22)24)16-6-4-3-5-7-16/h3-12H,1-2H3
InChIKey WWGTYSQSBDBQML-UHFFFAOYSA-N
Molecular Weight 332.425 g/mol
SMILES C12=NC(=S)N(C=C2C(C)=NN1c1ccccc1)c1ccc(cc1)C
SPLASH splash10-001i-4119000000-89d80f8c5c7541d91b6d
Source of Spectrum J-53-4660-17
Wiley ID 1329448