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1-[1-ethyl-6-methyl-4-(4-piperonylpiperazino)-2-thioxo-pyrimidin-5-yl]ethanone
SpectraBase Compound ID G3XmeUCuiDx
InChI InChI=1S/C21H26N4O3S/c1-4-25-14(2)19(15(3)26)20(22-21(25)29)24-9-7-23(8-10-24)12-16-5-6-17-18(11-16)28-13-27-17/h5-6,11H,4,7-10,12-13H2,1-3H3
InChIKey PHBIKAKWBARONR-UHFFFAOYSA-N
Mol Weight 414.52 g/mol
Molecular Formula C21H26N4O3S
Exact Mass 414.172562 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ebqQwU3A7c
Name 1-[1-ethyl-6-methyl-4-(4-piperonylpiperazino)-2-thioxo-pyrimidin-5-yl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N4O3S
InChI InChI=1S/C21H26N4O3S/c1-4-25-14(2)19(15(3)26)20(22-21(25)29)24-9-7-23(8-10-24)12-16-5-6-17-18(11-16)28-13-27-17/h5-6,11H,4,7-10,12-13H2,1-3H3
InChIKey PHBIKAKWBARONR-UHFFFAOYSA-N
Molecular Weight 414.524 g/mol
SMILES CCN1C(C)=C(C(=NC1=S)N1CCN(CC1)Cc1cc2OCOc2cc1)C(=O)C
SPLASH splash10-000i-3930000000-c5b8b421e589a77d00f8
Synonyms 1-[4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-ethyl-6-methyl-2-sulfanylidene-5-pyrimidinyl]ethanone 1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-ethyl-6-methyl-2-sulfanylidene-pyrimidin-5-yl]ethanone 1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-ethyl-6-methyl-2-thioxo-pyrimidin-5-yl]ethanone
Wiley ID 1445303