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4-(6-Chloro-benzo[1,3]dioxol-5-yl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester
SpectraBase Compound ID 7lbJG6Fhto7
InChI InChI=1S/C15H15ClN2O4S/c1-3-20-14(19)12-7(2)17-15(23)18-13(12)8-4-10-11(5-9(8)16)22-6-21-10/h4-5,13H,3,6H2,1-2H3,(H2,17,18,23)
InChIKey GKYPGWIYYMMLSM-UHFFFAOYSA-N
Mol Weight 354.81 g/mol
Molecular Formula C15H15ClN2O4S
Exact Mass 354.044106 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CPMgZMyGnXL
Name 4-(6-Chloro-benzo[1,3]dioxol-5-yl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester
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Formula C15H15ClN2O4S
InChI InChI=1S/C15H15ClN2O4S/c1-3-20-14(19)12-7(2)17-15(23)18-13(12)8-4-10-11(5-9(8)16)22-6-21-10/h4-5,13H,3,6H2,1-2H3,(H2,17,18,23)
InChIKey GKYPGWIYYMMLSM-UHFFFAOYSA-N
Molecular Weight 354.808 g/mol
SMILES N1C(NC(=C(C1c1c(cc2c(c1)OCO2)Cl)C(OCC)=O)C)=S
SPLASH splash10-0fu7-8943000000-012e6ead0343ff499c33
Synonyms 4-(6-Chloro-1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester 4-(6-Chloro-1,3-benzodioxol-5-yl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Ethyl 4-(6-chloranyl-1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Ethyl 4-(6-chloro-1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Ethyl 4-(6-chloro-1,3-benzodioxol-5-yl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate Ethyl 4-(6-chloro-1,3-benzodioxol-5-yl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Wiley ID 1446977