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2-(4-morpholinyl)-4-oxo-3-phenyl-6-(triphenylphosphoranylideneamino)-5-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester
SpectraBase Compound ID HLsWM9FrKxK
InChI InChI=1S/C37H33N4O4PS/c1-2-45-36(43)32-31-33(38-37(40-23-25-44-26-24-40)41(35(31)42)27-15-7-3-8-16-27)47-34(32)39-46(28-17-9-4-10-18-28,29-19-11-5-12-20-29)30-21-13-6-14-22-30/h3-22H,2,23-26H2,1H3
InChIKey OFQXIHLDNMJOFI-UHFFFAOYSA-N
Mol Weight 660.7 g/mol
Molecular Formula C37H33N4O4PS
Exact Mass 660.196014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 50xDay0u6En
Name 2-(4-morpholinyl)-4-oxo-3-phenyl-6-(triphenylphosphoranylideneamino)-5-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester
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Formula C37H33N4O4PS
InChI InChI=1S/C37H33N4O4PS/c1-2-45-36(43)32-31-33(38-37(40-23-25-44-26-24-40)41(35(31)42)27-15-7-3-8-16-27)47-34(32)39-46(28-17-9-4-10-18-28,29-19-11-5-12-20-29)30-21-13-6-14-22-30/h3-22H,2,23-26H2,1H3
InChIKey OFQXIHLDNMJOFI-UHFFFAOYSA-N
Molecular Weight 660.729 g/mol
SMILES c12c(N=C(N(C2=O)c2ccccc2)N2CCOCC2)sc(c1C(=O)OCC)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
SPLASH splash10-03di-0880019000-e0658ca1e492babefb2a
Source of Spectrum F-69-8370-9
Synonyms 4-keto-2-morpholino-3-phenyl-6-(triphenylphosphoranylideneamino)thieno[2,3-d]pyrimidine-5-carboxylic acid ethyl ester Ethyl 2-morpholin-4-yl-4-oxo-3-phenyl-6-[(triphenyl-$l^{5}-phosphanylidene)amino]thieno[2,3-d]pyrimidine-5-carboxylate Ethyl 2-morpholino-4-oxo-3-phenyl-6-[(triphenyl-$l^{5}-phosphanylidene)amino]thieno[2,3-d]pyrimidine-5-carboxylate
Wiley ID 1595879