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3-Cyano-5-dibutylamino-6-(4-fluorophenyl)-1-p-tolyl-1Hpyrazolo[4,3-d]pyrimidin-7(6H)-one
SpectraBase Compound ID HygOpSwoGy5
InChI InChI=1S/C27H29FN6O/c1-4-6-16-32(17-7-5-2)27-30-24-23(18-29)31-34(22-12-8-19(3)9-13-22)25(24)26(35)33(27)21-14-10-20(28)11-15-21/h8-15H,4-7,16-17H2,1-3H3
InChIKey JURZPSPZHFNNDQ-UHFFFAOYSA-N
Mol Weight 472.57 g/mol
Molecular Formula C27H29FN6O
Exact Mass 472.238688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4gpgNvoaUC
Name 3-Cyano-5-dibutylamino-6-(4-fluorophenyl)-1-p-tolyl-1Hpyrazolo[4,3-d]pyrimidin-7(6H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H29FN6O
InChI InChI=1S/C27H29FN6O/c1-4-6-16-32(17-7-5-2)27-30-24-23(18-29)31-34(22-12-8-19(3)9-13-22)25(24)26(35)33(27)21-14-10-20(28)11-15-21/h8-15H,4-7,16-17H2,1-3H3
InChIKey JURZPSPZHFNNDQ-UHFFFAOYSA-N
Molecular Weight 472.568 g/mol
SMILES c12c(N=C(N(C2=O)c2ccc(cc2)F)N(CCCC)CCCC)c(C#N)n[n]1-c1ccc(cc1)C
SPLASH splash10-00xr-0116900000-ed8a9429723497ce9b79
Source of Spectrum F-66-5118-8F
Wiley ID 1683270