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7-amino-2-(1H-indol-3-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
SpectraBase Compound ID LGlC6te1uKF
InChI InChI=1S/C22H16N6O/c1-29-14-8-6-13(7-9-14)21-16(11-23)22(24)28-20(26-21)10-19(27-28)17-12-25-18-5-3-2-4-15(17)18/h2-10,12,25H,24H2,1H3
InChIKey AGNRJJCKYDPVGW-UHFFFAOYSA-N
Mol Weight 380.41 g/mol
Molecular Formula C22H16N6O
Exact Mass 380.138559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2wH4h5ttWdb
Name 7-amino-2-(1H-indol-3-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
Appearance Green crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16N6O
InChI InChI=1S/C22H16N6O/c1-29-14-8-6-13(7-9-14)21-16(11-23)22(24)28-20(26-21)10-19(27-28)17-12-25-18-5-3-2-4-15(17)18/h2-10,12,25H,24H2,1H3
InChIKey AGNRJJCKYDPVGW-UHFFFAOYSA-N
Instrument Name Finnegan MAT 212
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2218
Molecular Weight 380.411 g/mol
SMILES NC1=C(C(=Nc2[n]1nc(-c1c[nH]c3c1cccc3)c2)c1ccc(cc1)OC)C#N
SPLASH splash10-004i-9000000000-d072fd89f9d2cdf34bbc
Source of Spectrum Y-53-898-11a
Wiley ID 1876420