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Ethyl 6-(benzo[d][1,3]dioxol-5-yl)-4-methyl-2-thioureido-1,6-dihydropyrimidine-5-carboxylate
SpectraBase Compound ID fXmiebuz73
InChI InChI=1S/C16H18N4O4S/c1-3-22-14(21)12-8(2)18-16(20-15(17)25)19-13(12)9-4-5-10-11(6-9)24-7-23-10/h4-6,13H,3,7H2,1-2H3,(H4,17,18,19,20,25)
InChIKey SRVKGRXUOZHXRA-UHFFFAOYSA-N
Mol Weight 362.4 g/mol
Molecular Formula C16H18N4O4S
Exact Mass 362.104876 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Sl2aqeM4sX
Name Ethyl 6-(benzo[d][1,3]dioxol-5-yl)-4-methyl-2-thioureido-1,6-dihydropyrimidine-5-carboxylate
Appearance Brown crystals
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Formula C16H18N4O4S
InChI InChI=1S/C16H18N4O4S/c1-3-22-14(21)12-8(2)18-16(20-15(17)25)19-13(12)9-4-5-10-11(6-9)24-7-23-10/h4-6,13H,3,7H2,1-2H3,(H4,17,18,19,20,25)
InChIKey SRVKGRXUOZHXRA-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP-1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2358
Molecular Weight 362.404 g/mol
SMILES N1C(C(=C(N=C1NC(N)=S)C)C(=O)OCC)c1ccc2c(OCO2)c1
SPLASH splash10-01q9-9334000000-e3e1c0795ff34c926190
Source of Spectrum Y-53-555-19a
Wiley ID 1877642