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1-Allyl-7,11-dimethoxy-2-thioxofuro[3'',2'':6',7']chromeno[3',2':5,6]pyrido[2,3-d]pyrimidine-4,6(4H,6H)-dione
SpectraBase Compound ID 8YbcVTMtQcX
InChI InChI=1S/C21H15N3O6S/c1-4-6-24-18-11(19(26)23-21(24)31)8-10-13(25)12-14(27-2)9-5-7-29-15(9)17(28-3)16(12)30-20(10)22-18/h4-5,7-8H,1,6H2,2-3H3,(H,23,26,31)
InChIKey ILWUQVBNCBTQBX-UHFFFAOYSA-N
Mol Weight 437.43 g/mol
Molecular Formula C21H15N3O6S
Exact Mass 437.068156 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3fFh7T58EC7
Name 1-Allyl-7,11-dimethoxy-2-thioxofuro[3'',2'':6',7']chromeno[3',2':5,6]pyrido[2,3-d]pyrimidine-4,6(4H,6H)-dione
Appearance Orange crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15N3O6S
InChI InChI=1S/C21H15N3O6S/c1-4-6-24-18-11(19(26)23-21(24)31)8-10-13(25)12-14(27-2)9-5-7-29-15(9)17(28-3)16(12)30-20(10)22-18/h4-5,7-8H,1,6H2,2-3H3,(H,23,26,31)
InChIKey ILWUQVBNCBTQBX-UHFFFAOYSA-N
Instrument Name Shimadzu GC-2010
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4082
Molecular Weight 437.426 g/mol
SMILES N1C(c2cc3C(c4c(c5c(c(c4Oc3nc2N(C1=S)CC=C)OC)occ5)OC)=O)=O
SPLASH splash10-003r-3239200000-801471841083d867ed6f
Source of Spectrum Y-57-3640-11
Wiley ID 1859834