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2-keto-6-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-4-(3-nitrophenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester

View entire compound with spectra: 1 MS (GC)

2-keto-6-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-4-(3-nitrophenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester
SpectraBase Compound ID AsAACzoFEWb
InChI InChI=1S/C17H17N5O5S2/c1-3-27-15(23)13-12(8-28-17-21-20-9(2)29-17)18-16(24)19-14(13)10-5-4-6-11(7-10)22(25)26/h4-7,14H,3,8H2,1-2H3,(H2,18,19,24)
InChIKey SDBOPUFIDBTSRB-UHFFFAOYSA-N
Mol Weight 435.47 g/mol
Molecular Formula C17H17N5O5S2
Exact Mass 435.067111 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FpaemHu66Wb
Name 2-keto-6-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-4-(3-nitrophenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17N5O5S2
InChI InChI=1S/C17H17N5O5S2/c1-3-27-15(23)13-12(8-28-17-21-20-9(2)29-17)18-16(24)19-14(13)10-5-4-6-11(7-10)22(25)26/h4-7,14H,3,8H2,1-2H3,(H2,18,19,24)
InChIKey SDBOPUFIDBTSRB-UHFFFAOYSA-N
Molecular Weight 435.473 g/mol
SMILES N1C(NC(C(=C1CSc1sc(C)nn1)C(=O)OCC)c1cc(N(=O)=O)ccc1)=O
SPLASH splash10-0a4i-9310000000-33e5b6c4a86993fb8911
Synonyms 6-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Ethyl 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-(3-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Ethyl 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Wiley ID 1512506