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(E)-3-phenyl-2-propenethioic acid S-(3-amino-4-oxo-2-quinazolinyl) ester
SpectraBase Compound ID J7vVGYJWfwq
InChI InChI=1S/C17H13N3O2S/c18-20-16(22)13-8-4-5-9-14(13)19-17(20)23-15(21)11-10-12-6-2-1-3-7-12/h1-11H,18H2/b11-10+
InChIKey LFSACRQLWDXJIF-ZHACJKMWSA-N
Mol Weight 323.37 g/mol
Molecular Formula C17H13N3O2S
Exact Mass 323.072848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CkpjpZnYznH
Name (E)-3-phenyl-2-propenethioic acid S-(3-amino-4-oxo-2-quinazolinyl) ester
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Formula C17H13N3O2S
InChI InChI=1S/C17H13N3O2S/c18-20-16(22)13-8-4-5-9-14(13)19-17(20)23-15(21)11-10-12-6-2-1-3-7-12/h1-11H,18H2/b11-10+
InChIKey LFSACRQLWDXJIF-ZHACJKMWSA-N
Literature Reference DOI 10.1002/ardp.19973301208
Molecular Weight 323.370 g/mol
SMILES NN1C(c2c(cccc2)N=C1SC(\C=C\c1ccccc1)=O)=O
SPLASH splash10-001i-0900000000-49f4c3c85e54eecff858
Source of Spectrum APP-330-404-22
Synonyms 3-Amino-2-cinnamoylthio-4(3H)-quinazolinone (E)-3-phenylprop-2-enethioic acid S-(3-amino-4-keto-quinazolin-2-yl) ester S-(3-amino-4-oxo-quinazolin-2-yl) (E)-3-phenylprop-2-enethioate S-(3-azanyl-4-oxidanylidene-quinazolin-2-yl) (E)-3-phenylprop-2-enethioate (E)-S-(3-amino-4-oxo-3,4-dihydroquinazolin-2-yl) 3-phenylprop-2-enethioate S-(3-amino-4-oxoquinazolin-2-yl) (E)-3-phenylprop-2-enethioate
Wiley ID 1770145