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1-[6-AMINO-2-(METHYLTHIO)-5-SULFAMOYL-4-PYRIMIDINYL]-3-PHENYLUREA

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1-[6-AMINO-2-(METHYLTHIO)-5-SULFAMOYL-4-PYRIMIDINYL]-3-PHENYLUREA
SpectraBase Compound ID FiTAsVW1qGz
InChI InChI=1S/2C12H14N6O3S2/c2*1-22-12-16-9(13)8(23(14,20)21)10(18-12)17-11(19)15-7-5-3-2-4-6-7/h2*2-6H,1H3,(H2,14,20,21)(H4,13,15,16,17,18,19)
InChIKey RQSNAEOHEDQLSY-UHFFFAOYSA-N
Mol Weight 354.4 g/mol
Molecular Formula C12H14N6O3S2
Exact Mass 354.056881 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CkHWlx5BRPp
Name 1-[6-AMINO-2-(METHYLTHIO)-5-SULFAMOYL-4-PYRIMIDINYL]-3-PHENYLUREA
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14N6O3S2
InChI InChI=1S/2C12H14N6O3S2/c2*1-22-12-16-9(13)8(23(14,20)21)10(18-12)17-11(19)15-7-5-3-2-4-6-7/h2*2-6H,1H3,(H2,14,20,21)(H4,13,15,16,17,18,19)
InChIKey RQSNAEOHEDQLSY-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Molecular Weight 354.41
Solvent DMSO-d6; Reference=TMS; Temperature 297K