4-allyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl 1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl sulfide

SpectraBase Compound ID	BlC1nffZkq0
InChI	InChI=1S/C21H16N8S/c1-2-12-28-18(15-8-10-22-11-9-15)26-27-21(28)30-20-17-13-25-29(19(17)23-14-24-20)16-6-4-3-5-7-16/h2-11,13-14H,1,12H2
InChIKey	DOQWWJMYAVEMDQ-UHFFFAOYSA-N Google Search
Mol Weight	412.48 g/mol
Molecular Formula	C21H16N8S
Exact Mass	412.121864 g/mol

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SpectraBase Spectrum ID	B5wrS7sWJZM
Name	4-allyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl 1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl sulfide
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C21H16N8S/c1-2-12-28-18(15-8-10-22-11-9-15)26-27-21(28)30-20-17-13-25-29(19(17)23-14-24-20)16-6-4-3-5-7-16/h2-11,13-14H,1,12H2
InChIKey	DOQWWJMYAVEMDQ-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_14039
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: MAY-13/0123; UBI_ID: UBI-014042
Synonyms	4-{[4-allyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Temperature	318 °C