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3-(Benzylamino)-1-phenyl-7-propyl[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
SpectraBase Compound ID DBZsjoyS49u
InChI InChI=1S/C21H21N5O/c1-2-9-17-14-19(27)25-20(22-15-16-10-5-3-6-11-16)24-26(21(25)23-17)18-12-7-4-8-13-18/h3-8,10-14H,2,9,15H2,1H3,(H,22,24)
InChIKey ZITLVFRSXYACMS-UHFFFAOYSA-N
Mol Weight 359.43 g/mol
Molecular Formula C21H21N5O
Exact Mass 359.17461 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BOkqwOG5Gnb
Name 3-(Benzylamino)-1-phenyl-7-propyl[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
Alternate Name(s) 3-(benzylamino)-1-phenyl-7-propyl-[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21N5O
InChI InChI=1S/C21H21N5O/c1-2-9-17-14-19(27)25-20(22-15-16-10-5-3-6-11-16)24-26(21(25)23-17)18-12-7-4-8-13-18/h3-8,10-14H,2,9,15H2,1H3,(H,22,24)
InChIKey ZITLVFRSXYACMS-UHFFFAOYSA-N
Molecular Weight 359.433 g/mol
SMILES N(C=1N2C(N(c3ccccc3)N1)=NC(=CC2=O)CCC)Cc1ccccc1
SPLASH splash10-052f-9108000000-2b2dd9173cb60b5761eb
Source of Spectrum HC-49-1505-8c
Wiley ID 1739306