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2-(acetonylthio)-3-amino-quinazolin-4-one
SpectraBase Compound ID ZiV11gTmrz
InChI InChI=1S/C11H11N3O2S/c1-7(15)6-17-11-13-9-5-3-2-4-8(9)10(16)14(11)12/h2-5H,6,12H2,1H3
InChIKey NBIKKSHUHHDLGF-UHFFFAOYSA-N
Mol Weight 249.29 g/mol
Molecular Formula C11H11N3O2S
Exact Mass 249.057198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A2MNLfrA1kK
Name 2-(acetonylthio)-3-amino-quinazolin-4-one
Alternate Name(s) 2-Acetonylthio-3-amino-4(3H)-quinazolinone 2-Acetonylsulfanyl-3-amino-quinazolin-4-one 3-Amino-2-(2-oxopropylsulfanyl)quinazolin-4-one 3-Amino-2-(2-oxopropylthio)-4-quinazolinone 3-Amino-2-((2-oxopropyl)thio)quinazolin-4(3H)-one 3-Azanyl-2-(2-oxidanylidenepropylsulfanyl)quinazolin-4-one
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Formula C11H11N3O2S
InChI InChI=1S/C11H11N3O2S/c1-7(15)6-17-11-13-9-5-3-2-4-8(9)10(16)14(11)12/h2-5H,6,12H2,1H3
InChIKey NBIKKSHUHHDLGF-UHFFFAOYSA-N
Molecular Weight 249.288 g/mol
SMILES NN1C(=Nc2c(C1=O)cccc2)SCC(=O)C
SPLASH splash10-0592-0980000000-9242f89ac417d703a693
Source of Spectrum D8-330-403-6
Wiley ID 1516518