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3-Cyano-5-propylamino-1,6-di(p-tolyl)-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
SpectraBase Compound ID IhaHmgGZmB8
InChI InChI=1S/C23H22N6O/c1-4-13-25-23-26-20-19(14-24)27-29(18-11-7-16(3)8-12-18)21(20)22(30)28(23)17-9-5-15(2)6-10-17/h5-12H,4,13H2,1-3H3,(H,25,26)
InChIKey CBOSPIDYNHTEIU-UHFFFAOYSA-N
Mol Weight 398.47 g/mol
Molecular Formula C23H22N6O
Exact Mass 398.185509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EDCm6pdw8Zp
Name 3-Cyano-5-propylamino-1,6-di(p-tolyl)-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22N6O
InChI InChI=1S/C23H22N6O/c1-4-13-25-23-26-20-19(14-24)27-29(18-11-7-16(3)8-12-18)21(20)22(30)28(23)17-9-5-15(2)6-10-17/h5-12H,4,13H2,1-3H3,(H,25,26)
InChIKey CBOSPIDYNHTEIU-UHFFFAOYSA-N
Molecular Weight 398.470 g/mol
SMILES N(C=1N(C(c2c(N1)c(C#N)n[n]2-c1ccc(cc1)C)=O)c1ccc(cc1)C)CCC
SPLASH splash10-0a4m-1009000000-86df642b0b70464b5b09
Source of Spectrum F-66-5117-8u
Wiley ID 1683277