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Pyrimidine-4-carboxylic acid, 2-(2-benzoylaminophenylthio)-6-methyl-, methyl ester
SpectraBase Compound ID 3HfCivw03S6
InChI InChI=1S/C20H17N3O3S/c1-13-12-16(19(25)26-2)23-20(21-13)27-17-11-7-6-10-15(17)22-18(24)14-8-4-3-5-9-14/h3-12H,1-2H3,(H,22,24)
InChIKey JNWOFYVNIOHSLL-UHFFFAOYSA-N
Mol Weight 379.43 g/mol
Molecular Formula C20H17N3O3S
Exact Mass 379.099063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 85vhMWpqF6
Name Pyrimidine-4-carboxylic acid, 2-(2-benzoylaminophenylthio)-6-methyl-, methyl ester
Alternate Name(s) 2-[(2-benzamidophenyl)thio]-6-methyl-4-pyrimidinecarboxylic acid methyl ester 2-[(2-benzamidophenyl)thio]-6-methyl-pyrimidine-4-carboxylic acid methyl ester Methyl 2-(2-benzamidophenyl)sulfanyl-6-methyl-pyrimidine-4-carboxylate Methyl 2-([2-(benzoylamino)phenyl]sulfanyl)-6-methyl-4-pyrimidinecarboxylate
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Formula C20H17N3O3S
InChI InChI=1S/C20H17N3O3S/c1-13-12-16(19(25)26-2)23-20(21-13)27-17-11-7-6-10-15(17)22-18(24)14-8-4-3-5-9-14/h3-12H,1-2H3,(H,22,24)
InChIKey JNWOFYVNIOHSLL-UHFFFAOYSA-N
Molecular Weight 379.434 g/mol
SMILES N(C(=O)c1ccccc1)c1c(Sc2nc(C(=O)OC)cc(n2)C)cccc1
SPLASH splash10-0a4i-4911000000-2d56aeff44d031321bd0
Source of Spectrum AD-0-2532-0
Wiley ID 1427549