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3-[4'-(Ethoxycarbonyl)phenyl]-2-[(2"-hydroxycarbonyl)ethylthiomethyl]-4(3H)-quinazolin-4-one
SpectraBase Compound ID HXtU16K8hxL
InChI InChI=1S/C21H20N2O5S/c1-2-28-21(27)14-7-9-15(10-8-14)23-18(13-29-12-11-19(24)25)22-17-6-4-3-5-16(17)20(23)26/h3-10H,2,11-13H2,1H3,(H,24,25)
InChIKey UDFWVKCPEVLMFO-UHFFFAOYSA-N
Mol Weight 412.46 g/mol
Molecular Formula C21H20N2O5S
Exact Mass 412.109293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3QD1RavONs
Name 3-[4'-(Ethoxycarbonyl)phenyl]-2-[(2"-hydroxycarbonyl)ethylthiomethyl]-4(3H)-quinazolin-4-one
Alternate Name(s) 3-[4'-(Ethoxycarbonyl)phenyl]-2-[(2''-hydroxycarbonyl)ethylthiomethyl]-4(3H)-quinazolin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20N2O5S
InChI InChI=1S/C21H20N2O5S/c1-2-28-21(27)14-7-9-15(10-8-14)23-18(13-29-12-11-19(24)25)22-17-6-4-3-5-16(17)20(23)26/h3-10H,2,11-13H2,1H3,(H,24,25)
InChIKey UDFWVKCPEVLMFO-UHFFFAOYSA-N
Molecular Weight 412.460 g/mol
SMILES OC(CCSCC=1N(C(c2c(cccc2)N1)=O)c1ccc(C(=O)OCC)cc1)=O
SPLASH splash10-0a4i-0029000000-b0baaeaa83076f05c4c2
Source of Spectrum G-58-1967-0
Wiley ID 748616