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ISOPROPYLIDENE-N-(4-(5-BENZYLOXY-PYRIMIDINYL))-AMINOMETHYLENEMALONATE
SpectraBase Compound ID JafjIERU8m3
InChI InChI=1S/C18H17N3O5/c1-18(2)25-16(22)13(17(23)26-18)8-20-15-14(9-19-11-21-15)24-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,19,20,21)
InChIKey PDMIBWOIRXYSNL-UHFFFAOYSA-N
Mol Weight 355.35 g/mol
Molecular Formula C18H17N3O5
Exact Mass 355.116821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4VwHyMaSJFd
Name 2,2-Dimethyl-5-[[(5-phenylmethoxy-4-pyrimidinyl)amino]methylidene]-1,3-dioxane-4,6-dione
CAS Registry Number 123420-44-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17N3O5
InChI InChI=1S/C18H17N3O5/c1-18(2)25-16(22)13(17(23)26-18)8-20-15-14(9-19-11-21-15)24-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,19,20,21)
InChIKey PDMIBWOIRXYSNL-UHFFFAOYSA-N
Molecular Weight 355.350 g/mol
SMILES N(c1c(OCc2ccccc2)cncn1)C=C1C(OC(OC1=O)(C)C)=O
SPLASH splash10-0006-9000000000-941eb36bbc63d1155f1b
Source of Spectrum Y-27-1966-11
Synonyms 2,2-Dimethyl-5-[[(5-phenylmethoxypyrimidin-4-yl)amino]methylidene]-1,3-dioxane-4,6-dione 5-[[(5-benzoxypyrimidin-4-yl)amino]methylene]-2,2-dimethyl-1,3-dioxane-4,6-quinone 5-[[(5-benzyloxypyrimidin-4-yl)amino]methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Wiley ID 1345183