5-Pyrimidinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-6-[[4-(2-cyanoethyl)-1-piperazinyl]methyl]-1,2,3,4-tetrahydro-2-oxo-, ethyl ester

SpectraBase Compound ID	JVzHsFg8KoB
InChI	InChI=1S/C22H27N5O5/c1-2-30-21(28)19-16(13-27-10-8-26(9-11-27)7-3-6-23)24-22(29)25-20(19)15-4-5-17-18(12-15)32-14-31-17/h4-5,12,20H,2-3,7-11,13-14H2,1H3,(H2,24,25,29)
InChIKey	UTGCFMMWJDHIBD-UHFFFAOYSA-N Google Search
Mol Weight	441.49 g/mol
Molecular Formula	C22H27N5O5
Exact Mass	441.201219 g/mol

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SpectraBase Spectrum ID	3swE5ZD5gO
Name	5-Pyrimidinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-6-[[4-(2-cyanoethyl)-1-piperazinyl]methyl]-1,2,3,4-tetrahydro-2-oxo-, ethyl ester
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H27N5O5
InChI	InChI=1S/C22H27N5O5/c1-2-30-21(28)19-16(13-27-10-8-26(9-11-27)7-3-6-23)24-22(29)25-20(19)15-4-5-17-18(12-15)32-14-31-17/h4-5,12,20H,2-3,7-11,13-14H2,1H3,(H2,24,25,29)
InChIKey	UTGCFMMWJDHIBD-UHFFFAOYSA-N
Molecular Weight	441.488 g/mol
SMILES	N1C(NC(C(=C1CN1CCN(CC1)CCC#N)C(=O)OCC)c1cc2c(OCO2)cc1)=O
SPLASH	splash10-0a4u-9621000000-d9d9cf84de001fcd95f2
Source of Spectrum	IY-1-4700-1
Synonyms	4-(1,3-benzodioxol-5-yl)-6-[[4-(2-cyanoethyl)-1-piperazinyl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Ethyl 4-(1,3-benzodioxol-5-yl)-6-[[4-(2-cyanoethyl)piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Ethyl 4-(1,3-benzodioxol-5-yl)-6-[[4-(2-cyanoethyl)piperazin-1-yl]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Wiley ID	1654984