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(R)-3-Cyano-6-(4-fluorophenyl)-5-(.alpha.-phenylethylamino)-1-p-tolyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one

View entire compound with spectra: 1 MS (GC)

(R)-3-Cyano-6-(4-fluorophenyl)-5-(.alpha.-phenylethylamino)-1-p-tolyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
SpectraBase Compound ID 1pJ0nzObeWk
InChI InChI=1S/C27H21FN6O/c1-17-8-12-22(13-9-17)34-25-24(23(16-29)32-34)31-27(30-18(2)19-6-4-3-5-7-19)33(26(25)35)21-14-10-20(28)11-15-21/h3-15,18H,1-2H3,(H,30,31)/t18-/m1/s1
InChIKey IGIJQDSUKCHGDK-GOSISDBHSA-N
Mol Weight 464.5 g/mol
Molecular Formula C27H21FN6O
Exact Mass 464.176087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BYIfeS6KPVx
Name (R)-3-Cyano-6-(4-fluorophenyl)-5-(.alpha.-phenylethylamino)-1-p-tolyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H21FN6O
InChI InChI=1S/C27H21FN6O/c1-17-8-12-22(13-9-17)34-25-24(23(16-29)32-34)31-27(30-18(2)19-6-4-3-5-7-19)33(26(25)35)21-14-10-20(28)11-15-21/h3-15,18H,1-2H3,(H,30,31)/t18-/m1/s1
InChIKey IGIJQDSUKCHGDK-GOSISDBHSA-N
Molecular Weight 464.504 g/mol
SMILES N(C=1N(C(c2c(N1)c(C#N)n[n]2-c1ccc(C)cc1)=O)c1ccc(cc1)F)[C@@](c1ccccc1)(C)[H]
SPLASH splash10-0cdi-3602900000-c6877221841466bbd012
Source of Spectrum F-66-5117-8m
Wiley ID 1683285