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2-(Butylamino)-3-(triphenylphosphoranylidene)aminobenzo[4,5]thieno[3,2-d]pyrimidin-4(3H)-one
SpectraBase Compound ID KcQhnF6OmsY
InChI InChI=1S/C32H29N4OPS/c1-2-3-23-33-32-34-29-27-21-13-14-22-28(27)39-30(29)31(37)36(32)35-38(24-15-7-4-8-16-24,25-17-9-5-10-18-25)26-19-11-6-12-20-26/h4-22H,2-3,23H2,1H3,(H,33,34)
InChIKey VNJYGOITJHHGIQ-UHFFFAOYSA-N
Mol Weight 548.6 g/mol
Molecular Formula C32H29N4OPS
Exact Mass 548.17997 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ln4zg0YzXtv
Name 2-(Butylamino)-3-(triphenylphosphoranylidene)aminobenzo[4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H29N4OPS
InChI InChI=1S/C32H29N4OPS/c1-2-3-23-33-32-34-29-27-21-13-14-22-28(27)39-30(29)31(37)36(32)35-38(24-15-7-4-8-16-24,25-17-9-5-10-18-25)26-19-11-6-12-20-26/h4-22H,2-3,23H2,1H3,(H,33,34)
InChIKey VNJYGOITJHHGIQ-UHFFFAOYSA-N
Molecular Weight 548.645 g/mol
SMILES N(C1=Nc2c3ccccc3sc2C(N1N=P(c1ccccc1)(c1ccccc1)c1ccccc1)=O)CCCC
SPLASH splash10-002b-7580090000-718fb21df0e1d3f0dacf
Source of Spectrum Y-46-906-5e
Synonyms 2-(butylamino)-3-(triphenylphosphoranylideneamino)-[1]benzothiolo[3,2-d]pyrimidin-4-one 2-(butylamino)-3-[(triphenyl-$l^{5}-phosphanylidene)amino]benzothiopheno[3,2-d]pyrimidin-4-one 2-(butylamino)-3-[(triphenyl-$l^{5}-phosphanylidene)amino]-[1]benzothiolo[3,2-d]pyrimidin-4-one
Wiley ID 1666860