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4-Keto-3-phenyl-2-piperidino-6-(triphenylphosphoranylideneamino)thieno[2,3-D]pyrimidine-5-carboxylic acid ethyl ester
SpectraBase Compound ID HFhMIPvDd86
InChI InChI=1S/C38H35N4O3PS/c1-2-45-37(44)33-32-34(39-38(41-26-16-7-17-27-41)42(36(32)43)28-18-8-3-9-19-28)47-35(33)40-46(29-20-10-4-11-21-29,30-22-12-5-13-23-30)31-24-14-6-15-25-31/h3-6,8-15,18-25H,2,7,16-17,26-27H2,1H3
InChIKey MPGDIZKFLTYYPO-UHFFFAOYSA-N
Mol Weight 658.8 g/mol
Molecular Formula C38H35N4O3PS
Exact Mass 658.216749 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CBWnw6dJUhF
Name 4-keto-3-phenyl-2-piperidino-6-(triphenylphosphoranylideneamino)thieno[2,3-d]pyrimidine-5-carboxylic acid ethyl ester
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Formula C38H35N4O3PS
InChI InChI=1S/C38H35N4O3PS/c1-2-45-37(44)33-32-34(39-38(41-26-16-7-17-27-41)42(36(32)43)28-18-8-3-9-19-28)47-35(33)40-46(29-20-10-4-11-21-29,30-22-12-5-13-23-30)31-24-14-6-15-25-31/h3-6,8-15,18-25H,2,7,16-17,26-27H2,1H3
InChIKey MPGDIZKFLTYYPO-UHFFFAOYSA-N
Molecular Weight 658.757 g/mol
SMILES c12c(N=C(N(C2=O)c2ccccc2)N2CCCCC2)sc(c1C(=O)OCC)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
SPLASH splash10-06w9-2390004000-e84f8c18e70113db8352
Source of Spectrum F-69-8370-9
Synonyms 4-Oxo-3-phenyl-2-(1-piperidinyl)-6-(triphenylphosphoranylideneamino)-5-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester Ethyl 4-oxo-3-phenyl-2-piperidin-1-yl-6-[(triphenyl-$l^{5}-phosphanylidene)amino]thieno[2,3-d]pyrimidine-5-carboxylate Ethyl 4-oxo-3-phenyl-2-(1-piperidyl)-6-[(triphenyl-$l^{5}-phosphanylidene)amino]thieno[2,3-d]pyrimidine-5-carboxylate
Wiley ID 1595880