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3-Cyano-5-dibutylamino-6-phenyl-1-p-tolyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
SpectraBase Compound ID EoZTpGpvcbl
InChI InChI=1S/C27H30N6O/c1-4-6-17-31(18-7-5-2)27-29-24-23(19-28)30-33(22-15-13-20(3)14-16-22)25(24)26(34)32(27)21-11-9-8-10-12-21/h8-16H,4-7,17-18H2,1-3H3
InChIKey UILLFRGZBHMSSE-UHFFFAOYSA-N
Mol Weight 454.58 g/mol
Molecular Formula C27H30N6O
Exact Mass 454.24811 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5zT3aFYmAYX
Name 3-Cyano-5-dibutylamino-6-phenyl-1-p-tolyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30N6O
InChI InChI=1S/C27H30N6O/c1-4-6-17-31(18-7-5-2)27-29-24-23(19-28)30-33(22-15-13-20(3)14-16-22)25(24)26(34)32(27)21-11-9-8-10-12-21/h8-16H,4-7,17-18H2,1-3H3
InChIKey UILLFRGZBHMSSE-UHFFFAOYSA-N
Molecular Weight 454.578 g/mol
SMILES c12c(N=C(N(C2=O)c2ccccc2)N(CCCC)CCCC)c(C#N)n[n]1-c1ccc(cc1)C
SPLASH splash10-0pbc-3005900000-e547daa5073cef7eca88
Source of Spectrum F-66-5118-8A
Wiley ID 1683275