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acetamide, 2-[(7-ethyl-3,4,5,6,7,8-hexahydro-4-oxo-3-phenylbenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio]-N-(3-nitrophenyl)-
SpectraBase Compound ID 4PQdbGOv9sr
InChI InChI=1S/C26H24N4O4S2/c1-2-16-11-12-20-21(13-16)36-24-23(20)25(32)29(18-8-4-3-5-9-18)26(28-24)35-15-22(31)27-17-7-6-10-19(14-17)30(33)34/h3-10,14,16H,2,11-13,15H2,1H3,(H,27,31)
InChIKey DUVAEBKYQUAELV-UHFFFAOYSA-N
Mol Weight 520.62 g/mol
Molecular Formula C26H24N4O4S2
Exact Mass 520.123898 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dz97spsiybd
Name 2-[(7-ethyl-4-keto-3-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)thio]-N-(3-nitrophenyl)acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H24N4O4S2
InChI InChI=1S/C26H24N4O4S2/c1-2-16-11-12-20-21(13-16)36-24-23(20)25(32)29(18-8-4-3-5-9-18)26(28-24)35-15-22(31)27-17-7-6-10-19(14-17)30(33)34/h3-10,14,16H,2,11-13,15H2,1H3,(H,27,31)
InChIKey DUVAEBKYQUAELV-UHFFFAOYSA-N
Molecular Weight 520.622 g/mol
SMILES N(C(CSC=1N(C(c2c(N1)sc1c2CCC(CC)C1)=O)c1ccccc1)=O)c1cc(N(=O)=O)ccc1
SPLASH splash10-0fkc-4931000000-86e56e62b1759faa97a9
Synonyms 2-[(7-ethyl-4-oxidanylidene-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-nitrophenyl)ethanamide 2-[(7-ethyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide 2-[(7-ethyl-4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide 2-[(7-ethyl-4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)thio]-N-(3-nitrophenyl)acetamide 2-[(7-ethyl-4-oxo-3-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
Wiley ID 1453877