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(4,6-diphenyl-pyrimidin-2-ylsulfanyl)-acetic acid benzylcarbamoyl-methyl ester
SpectraBase Compound ID 3YTdJSNgi3L
InChI InChI=1S/C27H23N3O3S/c31-25(28-17-20-10-4-1-5-11-20)18-33-26(32)19-34-27-29-23(21-12-6-2-7-13-21)16-24(30-27)22-14-8-3-9-15-22/h1-16H,17-19H2,(H,28,31)
InChIKey WLQZUTFGVHTVOJ-UHFFFAOYSA-N
Mol Weight 469.56 g/mol
Molecular Formula C27H23N3O3S
Exact Mass 469.146013 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4gS6gT124IL
Name (4,6-diphenyl-pyrimidin-2-ylsulfanyl)-acetic acid benzylcarbamoyl-methyl ester
Alternate Name(s) 2-(benzylamino)-2-oxoethyl[(4,6-diphenyl-2-pyrimidinyl)sulfanyl]acetate 2-[(4,6-diphenyl-2-pyrimidinyl)thio]acetic acid[2-oxo-2-[(phenylmethyl)amino]ethyl]ester 2-[(4,6-diphenylpyrimidin-2-yl)thio]acetic acid[2-(benzylamino)-2-keto-ethyl]ester [2-(benzylamino)-2-oxo-ethyl]2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetate [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]2-(4,6-diphenylpyrimidin-2-yl)sulfanylethanoate 2-[(4,6-diphenyl-2-pyrimidinyl)thio]acetic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester [2-(benzylamino)-2-oxoethyl] 2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetate [2-(benzylamino)-2-oxo-ethyl] 2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetate [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 2-(4,6-diphenylpyrimidin-2-yl)sulfanylethanoate
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Formula C27H23N3O3S
InChI InChI=1S/C27H23N3O3S/c31-25(28-17-20-10-4-1-5-11-20)18-33-26(32)19-34-27-29-23(21-12-6-2-7-13-21)16-24(30-27)22-14-8-3-9-15-22/h1-16H,17-19H2,(H,28,31)
InChIKey WLQZUTFGVHTVOJ-UHFFFAOYSA-N
Molecular Weight 469.559 g/mol
SMILES N(C(COC(CSc1nc(-c2ccccc2)cc(n1)-c1ccccc1)=O)=O)Cc1ccccc1
SPLASH splash10-00bc-9565000000-dcdd4b0e83b452fb8b26
Wiley ID 1439176