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1,3-Dihydro-6-hydroxy-1,3-bis(2-methoxyphenyl)-4-oxo-5-(1,3-dioxobutyl)-2-thioxopyrimidine
SpectraBase Compound ID KI8H86Szkew
InChI InChI=1S/C22H20N2O6S/c1-13(25)12-16(26)19-20(27)23(14-8-4-6-10-17(14)29-2)22(31)24(21(19)28)15-9-5-7-11-18(15)30-3/h4-11,27H,12H2,1-3H3
InChIKey IKZPZCGIBNRGEI-UHFFFAOYSA-N
Mol Weight 440.47 g/mol
Molecular Formula C22H20N2O6S
Exact Mass 440.104208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID COEXUK6OYKl
Name 1,3-Dihydro-6-hydroxy-1,3-bis(2-methoxyphenyl)-4-oxo-5-(1,3-dioxobutyl)-2-thioxopyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20N2O6S
InChI InChI=1S/C22H20N2O6S/c1-13(25)12-16(26)19-20(27)23(14-8-4-6-10-17(14)29-2)22(31)24(21(19)28)15-9-5-7-11-18(15)30-3/h4-11,27H,12H2,1-3H3
InChIKey IKZPZCGIBNRGEI-UHFFFAOYSA-N
Molecular Weight 440.470 g/mol
SMILES OC1=C(C(N(C(N1c1c(cccc1)OC)=S)c1c(cccc1)OC)=O)C(CC(C)=O)=O
SPLASH splash10-0a4i-0948600000-9e42b8ace1fd163a1f14
Source of Spectrum Y1-35-249-2
Synonyms 1-[6-hydroxy-1,3-bis(2-methoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl]-1,3-butanedione
Wiley ID 1526664