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4-(3-nitrophenyl)-2-oxo-6-[(phenylmethylthio)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester
SpectraBase Compound ID LgThDNR6FmR
InChI InChI=1S/C21H21N3O5S/c1-2-29-20(25)18-17(13-30-12-14-7-4-3-5-8-14)22-21(26)23-19(18)15-9-6-10-16(11-15)24(27)28/h3-11,19H,2,12-13H2,1H3,(H2,22,23,26)
InChIKey JFQBCFZHRXSLOQ-UHFFFAOYSA-N
Mol Weight 427.48 g/mol
Molecular Formula C21H21N3O5S
Exact Mass 427.120192 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FfZWjGWxdmW
Name 4-(3-nitrophenyl)-2-oxo-6-[(phenylmethylthio)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester
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Formula C21H21N3O5S
InChI InChI=1S/C21H21N3O5S/c1-2-29-20(25)18-17(13-30-12-14-7-4-3-5-8-14)22-21(26)23-19(18)15-9-6-10-16(11-15)24(27)28/h3-11,19H,2,12-13H2,1H3,(H2,22,23,26)
InChIKey JFQBCFZHRXSLOQ-UHFFFAOYSA-N
Molecular Weight 427.475 g/mol
SMILES N1C(C(=C(NC1=O)CSCc1ccccc1)C(=O)OCC)c1cc(N(=O)=O)ccc1
SPLASH splash10-0006-9311000000-3b1bc4b43caf98288500
Synonyms 6-[(benzylthio)methyl]-2-keto-4-(3-nitrophenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Ethyl 4-(3-nitrophenyl)-2-oxidanylidene-6-[(phenylmethylsulfanyl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Ethyl 6-(benzylsulfanylmethyl)-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Wiley ID 1512497