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(2E)-2-[1-(4-chloro-2-methyl-phenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-keto-2-imidazolin-4-ylidene]acetic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(2E)-2-[1-(4-chloro-2-methyl-phenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-keto-2-imidazolin-4-ylidene]acetic acid methyl ester
SpectraBase Compound ID 67rdhNraR4O
InChI InChI=1S/C19H18ClN5O3/c1-10-7-13(20)5-6-15(10)25-17(27)14(9-16(26)28-4)23-19(25)24-18-21-11(2)8-12(3)22-18/h5-9H,1-4H3,(H,21,22,23,24)/b14-9+
InChIKey ANQUPTLEFNIYJE-NTEUORMPSA-N
Mol Weight 399.84 g/mol
Molecular Formula C19H18ClN5O3
Exact Mass 399.109817 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7nzQJpa8ks3
Name (2E)-2-[1-(4-chloro-2-methyl-phenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-keto-2-imidazolin-4-ylidene]acetic acid methyl ester
Alternate Name(s) (2E)-2-[1-(4-chloro-2-methylphenyl)-2-[(4,6-dimethyl-2-pyrimidinyl)amino]-5-oxo-4-imidazolylidene]acetic acid methyl ester Methyl (2E)-2-[1-(4-chloranyl-2-methyl-phenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-oxidanylidene-imidazol-4-ylidene]ethanoate Methyl (2E)-2-[1-(4-chloro-2-methyl-phenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-oxo-imidazol-4-ylidene]acetate
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Formula C19H18ClN5O3
InChI InChI=1S/C19H18ClN5O3/c1-10-7-13(20)5-6-15(10)25-17(27)14(9-16(26)28-4)23-19(25)24-18-21-11(2)8-12(3)22-18/h5-9H,1-4H3,(H,21,22,23,24)/b14-9+
InChIKey ANQUPTLEFNIYJE-NTEUORMPSA-N
Molecular Weight 399.838 g/mol
SMILES N(C1=N\C(C(N1c1ccc(cc1C)Cl)=O)=C/C(OC)=O)c1nc(cc(n1)C)C
SPLASH splash10-05tn-8920000000-c7cbfffe7a7207e4e5ed
Wiley ID 1466071