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3-Methyl-1,5-diphenyl-6-thioxo-5,6-dihydro-1H-pyrazolo[3,4-d]pyrimidine
SpectraBase Compound ID D4SPWZtK40S
InChI InChI=1S/C18H14N4S/c1-13-16-12-21(14-8-4-2-5-9-14)18(23)19-17(16)22(20-13)15-10-6-3-7-11-15/h2-12H,1H3
InChIKey DHMBLJZEIRTAOG-UHFFFAOYSA-N
Mol Weight 318.4 g/mol
Molecular Formula C18H14N4S
Exact Mass 318.093918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5PD1XKniFHj
Name 3-Methyl-1,5-diphenyl-6-thioxo-5,6-dihydro-1H-pyrazolo[3,4-d]pyrimidine
Alternate Name(s) 3-Methyl-1,5-diphenyl-1,5-dihydro-6H-pyrazolo[3,4-d]pyrimidine-6-thione
CAS Registry Number 114362-64-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14N4S
InChI InChI=1S/C18H14N4S/c1-13-16-12-21(14-8-4-2-5-9-14)18(23)19-17(16)22(20-13)15-10-6-3-7-11-15/h2-12H,1H3
InChIKey DHMBLJZEIRTAOG-UHFFFAOYSA-N
Molecular Weight 318.398 g/mol
SMILES C12=NC(=S)N(C=C2C(C)=NN1c1ccccc1)c1ccccc1
SPLASH splash10-016r-4009000000-8d2745946c516d0eb16a
Source of Spectrum J-53-4659-17
Wiley ID 1318475