2-Butyl-6-isopropyl-3-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]-3H-pyrimidin-4-one

SpectraBase Compound ID	3aCHa2kqeif
InChI	InChI=1S/C25H28N6O/c1-4-5-10-23-26-22(17(2)3)15-24(32)31(23)16-18-11-13-19(14-12-18)20-8-6-7-9-21(20)25-27-29-30-28-25/h6-9,11-15,17H,4-5,10,16H2,1-3H3,(H,27,28,29,30)
InChIKey	OOABTTPKDHUVRZ-UHFFFAOYSA-N Google Search
Mol Weight	428.54 g/mol
Molecular Formula	C25H28N6O
Exact Mass	428.23246 g/mol

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SpectraBase Spectrum ID	K0mscpGm43X
Name	2-Butyl-6-isopropyl-3-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]-3H-pyrimidin-4-one
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H28N6O
InChI	InChI=1S/C25H28N6O/c1-4-5-10-23-26-22(17(2)3)15-24(32)31(23)16-18-11-13-19(14-12-18)20-8-6-7-9-21(20)25-27-29-30-28-25/h6-9,11-15,17H,4-5,10,16H2,1-3H3,(H,27,28,29,30)
InChIKey	OOABTTPKDHUVRZ-UHFFFAOYSA-N
Molecular Weight	428.540 g/mol
SMILES	[nH]1c(nnn1)-c1c(-c2ccc(CN3C(C=C(N=C3CCCC)C(C)C)=O)cc2)cccc1
SPLASH	splash10-004i-0400900000-37459c71c14bca3f6f66
Source of Spectrum	QA-46-60-41
Synonyms	2-butyl-6-isopropyl-3-{[2'-(1H-tetraazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-4(3H)-pyrimidinone 2-butyl-6-propan-2-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-pyrimidinone 2-butyl-6-propan-2-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-4-one 2-butyl-6-isopropyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-4-one 2-butyl-6-propan-2-yl-3-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-4-one
Wiley ID	863080