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Phosphothioic acid, o-[5-benzyl-6-methyl-2-(1-pyrrolidinyl)-4-pyrimidyl]-, o',o''-diethyl ester
SpectraBase Compound ID Lgx2WZ93kD
InChI InChI=1S/C20H28N3O3PS/c1-4-24-27(28,25-5-2)26-19-18(15-17-11-7-6-8-12-17)16(3)21-20(22-19)23-13-9-10-14-23/h6-8,11-12H,4-5,9-10,13-15H2,1-3H3
InChIKey WCUBNIPKOHMNHN-UHFFFAOYSA-N
Mol Weight 421.5 g/mol
Molecular Formula C20H28N3O3PS
Exact Mass 421.1589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8WfsNspaxiq
Name Phosphothioic acid, o-[5-benzyl-6-methyl-2-(1-pyrrolidinyl)-4-pyrimidyl]-, o',o''-diethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28N3O3PS
InChI InChI=1S/C20H28N3O3PS/c1-4-24-27(28,25-5-2)26-19-18(15-17-11-7-6-8-12-17)16(3)21-20(22-19)23-13-9-10-14-23/h6-8,11-12H,4-5,9-10,13-15H2,1-3H3
InChIKey WCUBNIPKOHMNHN-UHFFFAOYSA-N
Molecular Weight 421.496 g/mol
SMILES c1ccc(Cc2c(nc(nc2C)N2CCCC2)OP(=S)(OCC)OCC)cc1
SPLASH splash10-00xr-6590200000-bd44c656593b0d9f3e74
Source of Spectrum AD-0-2532-0
Synonyms (5-benzyl-6-methyl-2-pyrrolidino-pyrimidin-4-yl)oxy-diethoxy-thioxo-phosphorane Diethoxy-[[6-methyl-5-(phenylmethyl)-2-(1-pyrrolidinyl)-4-pyrimidinyl]oxy]-sulfanylidenephosphorane (5-benzyl-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxy-diethoxy-sulfanylidene-$l^{5}-phosphane (5-benzyl-6-methyl-2-pyrrolidin-1-yl-pyrimidin-4-yl)oxy-diethoxy-thioxo-$l^{5}-phosphane
Wiley ID 1434248