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(4-(4-methoxyphenyl)-2-(6-(4-methoxyphenyl)-2-(methylthio)pyrimidin-1-ium-1-ylimino)pyrimidin-1(2H)-yl)amide
SpectraBase Compound ID 6Ev8r04L0Vn
InChI InChI=1S/C23H22N6O2S/c1-30-18-8-4-16(5-9-18)20-13-15-28(24)22(26-20)27-29-21(12-14-25-23(29)32-3)17-6-10-19(31-2)11-7-17/h4-15,24H,1-3H3
InChIKey GJUDPQSELPVLIG-UHFFFAOYSA-N
Mol Weight 446.53 g/mol
Molecular Formula C23H22N6O2S
Exact Mass 446.152495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2np5pQMie3p
Name (4-(4-methoxyphenyl)-2-(6-(4-methoxyphenyl)-2-(methylthio)pyrimidin-1-ium-1-ylimino)pyrimidin-1(2H)-yl)amide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22N6O2S
InChI InChI=1S/C23H22N6O2S/c1-30-18-8-4-16(5-9-18)20-13-15-28(24)22(26-20)27-29-21(12-14-25-23(29)32-3)17-6-10-19(31-2)11-7-17/h4-15,24H,1-3H3
InChIKey GJUDPQSELPVLIG-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19911241221
Molecular Weight 446.529 g/mol
SMILES [NH-]N1C(=N[n+]2c(SC)nccc2-c2ccc(OC)cc2)N=C(c2ccc(cc2)OC)C=C1
SPLASH splash10-0002-9110000000-ad265eb622d23b15973a
Source of Spectrum K-124-2783-2c
Synonyms (4-(4-methoxyphenyl)-2-((6-(4-methoxyphenyl)-2-(methylthio)pyrimidin-1-ium-1-yl)imino)pyrimidin-1(2H)-yl)amide
Wiley ID 1790445