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2-(4-Methylphenyl)amino-3-(triphenylphosphoranylidene)amino-benzo[4,5]thieno[3,2-d]pyrimidin-4(3H)-one
SpectraBase Compound ID IzVYLlgdC3G
InChI InChI=1S/C35H27N4OPS/c1-25-21-23-26(24-22-25)36-35-37-32-30-19-11-12-20-31(30)42-33(32)34(40)39(35)38-41(27-13-5-2-6-14-27,28-15-7-3-8-16-28)29-17-9-4-10-18-29/h2-24H,1H3,(H,36,37)
InChIKey FXUOZWXSSJUZIK-UHFFFAOYSA-N
Mol Weight 582.7 g/mol
Molecular Formula C35H27N4OPS
Exact Mass 582.16432 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FLXaM8MzpdZ
Name 2-(4-Methylphenyl)amino-3-(triphenylphosphoranylidene)amino-benzo[4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H27N4OPS
InChI InChI=1S/C35H27N4OPS/c1-25-21-23-26(24-22-25)36-35-37-32-30-19-11-12-20-31(30)42-33(32)34(40)39(35)38-41(27-13-5-2-6-14-27,28-15-7-3-8-16-28)29-17-9-4-10-18-29/h2-24H,1H3,(H,36,37)
InChIKey FXUOZWXSSJUZIK-UHFFFAOYSA-N
Molecular Weight 582.662 g/mol
SMILES N(C=1N(C(c2c(c3ccccc3s2)N1)=O)N=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(cc1)C
SPLASH splash10-005a-8513090000-be2abbc014e8d687314c
Source of Spectrum Y-46-906-5c
Synonyms 2-(4-Methylanilino)-3-(triphenylphosphoranylideneamino)-[1]benzothiolo[3,2-d]pyrimidin-4-one 2-(4-Methylanilino)-3-[(triphenyl-$l^{5}-phosphanylidene)amino]-[1]benzothiolo[3,2-d]pyrimidin-4-one 2-(4-Methylanilino)-3-[(triphenyl-$l^{5}-phosphanylidene)amino]benzothiopheno[3,2-d]pyrimidin-4-one 2-[(4-methylphenyl)amino]-3-[(triphenyl-$l^{5}-phosphanylidene)amino]-[1]benzothiolo[3,2-d]pyrimidin-4-one
Wiley ID 1666862