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4H-Pyran-3-carboxylic acid, 6-amino-4-[4-(1H-1,3-benzimidazol-1-ylmethyl)-2-thienyl]-5-cyano-2-methyl-, ethyl ester
SpectraBase Compound ID AkuvcIfTKjX
InChI InChI=1S/C22H20N4O3S/c1-3-28-22(27)19-13(2)29-21(24)15(9-23)20(19)18-8-14(11-30-18)10-26-12-25-16-6-4-5-7-17(16)26/h4-8,11-12,20H,3,10,24H2,1-2H3
InChIKey MEWZEUVUVJGWRB-UHFFFAOYSA-N
Mol Weight 420.49 g/mol
Molecular Formula C22H20N4O3S
Exact Mass 420.125612 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 82pphBQLfyD
Name 4H-Pyran-3-carboxylic acid, 6-amino-4-[4-(1H-1,3-benzimidazol-1-ylmethyl)-2-thienyl]-5-cyano-2-methyl-, ethyl ester
Alternate Name(s) 6-Amino-4-[4-(1-benzimidazolylmethyl)-2-thiophenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester Ethyl 6-amino-4-[4-(benzimidazol-1-ylmethyl)thiophen-2-yl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Ethyl 6-amino-4-[4-(benzimidazol-1-ylmethyl)-2-thienyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Ethyl 6-azanyl-4-[4-(benzimidazol-1-ylmethyl)thiophen-2-yl]-5-cyano-2-methyl-4H-pyran-3-carboxylate
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Formula C22H20N4O3S
InChI InChI=1S/C22H20N4O3S/c1-3-28-22(27)19-13(2)29-21(24)15(9-23)20(19)18-8-14(11-30-18)10-26-12-25-16-6-4-5-7-17(16)26/h4-8,11-12,20H,3,10,24H2,1-2H3
InChIKey MEWZEUVUVJGWRB-UHFFFAOYSA-N
Molecular Weight 420.487 g/mol
SMILES NC=1OC(=C(C(C1C#N)c1cc(C[n]2c3c(nc2)cccc3)cs1)C(=O)OCC)C
SPLASH splash10-006x-9410000000-a8f0fdd24b09a1a545e7
Source of Spectrum IY-1-4539-9
Wiley ID 1653382