2-[2-(4-methoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

SpectraBase Compound ID	J0yK2pLfHBf
InChI	InChI=1S/C17H15N3O5S2/c1-8-9(2)27-16-14(8)15(22)18-17(19-16)26-7-12(21)10-4-5-13(25-3)11(6-10)20(23)24/h4-6H,7H2,1-3H3,(H,18,19,22)
InChIKey	QPTBOEBDNOQGQH-UHFFFAOYSA-N Google Search
Mol Weight	405.44 g/mol
Molecular Formula	C17H15N3O5S2
Exact Mass	405.045313 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	48fC79cjJu3
Name	2-[2-(4-methoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H15N3O5S2
InChI	InChI=1S/C17H15N3O5S2/c1-8-9(2)27-16-14(8)15(22)18-17(19-16)26-7-12(21)10-4-5-13(25-3)11(6-10)20(23)24/h4-6H,7H2,1-3H3,(H,18,19,22)
InChIKey	QPTBOEBDNOQGQH-UHFFFAOYSA-N
Molecular Weight	405.443 g/mol
SMILES	Oc1c2c(nc(n1)SCC(c1cc(N(=O)=O)c(cc1)OC)=O)sc(C)c2C
SPLASH	splash10-0560-7920000000-f758defda52e5dc2b4fb
Synonyms	2-[2-(4-methoxy-3-nitro-phenyl)-2-oxo-ethyl]sulfanyl-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one 2-[[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]thio]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one 2-[[2-keto-2-(4-methoxy-3-nitro-phenyl)ethyl]thio]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
Wiley ID	1448143