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6-(2-(4-methoxyanilino)ethyl)-3-methylsulphanyl-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-one
SpectraBase Compound ID Gm0bC5HSqOX
InChI InChI=1S/C21H21N5O2S/c1-28-16-10-8-14(9-11-16)22-13-12-17-23-19-18(20(27)24-17)21(29-2)25-26(19)15-6-4-3-5-7-15/h3-11,22H,12-13H2,1-2H3,(H,23,24,27)
InChIKey IJCWVXZAMXVKOF-UHFFFAOYSA-N
Mol Weight 407.49 g/mol
Molecular Formula C21H21N5O2S
Exact Mass 407.141596 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DzEtDDKTkE8
Name 6-(2-(4-methoxyanilino)ethyl)-3-methylsulphanyl-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21N5O2S
InChI InChI=1S/C21H21N5O2S/c1-28-16-10-8-14(9-11-16)22-13-12-17-23-19-18(20(27)24-17)21(29-2)25-26(19)15-6-4-3-5-7-15/h3-11,22H,12-13H2,1-2H3,(H,23,24,27)
InChIKey IJCWVXZAMXVKOF-UHFFFAOYSA-N
Molecular Weight 407.492 g/mol
SMILES N1C(c2c(N=C1CCNc1ccc(cc1)OC)[n](nc2SC)-c1ccccc1)=O
SPLASH splash10-000i-0940200000-1f24d220ad87ce9ae2d8
Source of Spectrum F2-45-5290-10c
Wiley ID 1703585