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2-[[3-(o-tolyl)-4-oxo-quinazolin-2-yl]methyl]isothiourea
SpectraBase Compound ID GPmd9kXaxco
InChI InChI=1S/C17H16N4OS/c1-11-6-2-5-9-14(11)21-15(10-23-17(18)19)20-13-8-4-3-7-12(13)16(21)22/h2-9H,10H2,1H3,(H3,18,19)
InChIKey XNUKVUQOPZZYLO-UHFFFAOYSA-N
Mol Weight 324.4 g/mol
Molecular Formula C17H16N4OS
Exact Mass 324.104482 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ZhKNL5harw
Name 2-[[3-(o-tolyl)-4-oxo-quinazolin-2-yl]methyl]isothiourea
Alternate Name(s) 2-[[4-keto-3-(o-tolyl)quinazolin-2-yl]methyl]isothiourea [3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]methyl carbamimidothioate [3-(2-methylphenyl)-4-oxoquinazolin-2-yl]methyl carbamimidothioate
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Formula C17H16N4OS
InChI InChI=1S/C17H16N4OS/c1-11-6-2-5-9-14(11)21-15(10-23-17(18)19)20-13-8-4-3-7-12(13)16(21)22/h2-9H,10H2,1H3,(H3,18,19)
InChIKey XNUKVUQOPZZYLO-UHFFFAOYSA-N
Molecular Weight 324.402 g/mol
SMILES N=C(SCC=1N(C(c2ccccc2N1)=O)c1c(C)cccc1)N
SPLASH splash10-000l-9440000000-11b874ab8904a7814104
Wiley ID 1451450