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3-( Crotonoylamino)-2-( crotonoylthio)-4(3H)-quinazolinone
SpectraBase Compound ID IGrZtf6ZtGb
InChI InChI=1S/C16H15N3O3S/c1-3-7-13(20)18-19-15(22)11-9-5-6-10-12(11)17-16(19)23-14(21)8-4-2/h3-10H,1-2H3,(H,18,20)/b7-3+,8-4+
InChIKey ODOLKRAZUFVJQU-FCXRPNKRSA-N
Mol Weight 329.37 g/mol
Molecular Formula C16H15N3O3S
Exact Mass 329.083413 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6pa3zw7plDM
Name 3-( Crotonoylamino)-2-( crotonoylthio)-4(3H)-quinazolinone
Alternate Name(s) S-{3-[(2E)-2-butenoylamino]-4-oxo-3,4-dihydro-2-quinazolinyl} (2E)-2-butenethioate 3-Crotonoylamino-2-crotonoylthio-4-(3H)-quinazolinone (E)-S-(3-((E)-but-2-enamido)-4-oxo-3,4-dihydroquinazolin-2-yl) but-2-enethioate
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Formula C16H15N3O3S
InChI InChI=1S/C16H15N3O3S/c1-3-7-13(20)18-19-15(22)11-9-5-6-10-12(11)17-16(19)23-14(21)8-4-2/h3-10H,1-2H3,(H,18,20)/b7-3+,8-4+
InChIKey ODOLKRAZUFVJQU-FCXRPNKRSA-N
Literature Reference DOI 10.1002/ardp.19973301208
Molecular Weight 329.374 g/mol
SMILES N(N1C(c2c(cccc2)N=C1SC(\C=C\C)=O)=O)C(\C=C\C)=O
SPLASH splash10-014u-9200000000-faf8b19008b807c9cb45
Source of Spectrum APP-330-404-21
Wiley ID 1770144