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trans-(+\-)-2,4-dioxo-N-{1-(hydroxymethyl)-2-{[(methylthio)methyl]thio}ethyl}-6-methyl-1,2,3,4-tetrahydro-5-pyrimidineacrylamide

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trans-(+\-)-2,4-dioxo-N-{1-(hydroxymethyl)-2-{[(methylthio)methyl]thio}ethyl}-6-methyl-1,2,3,4-tetrahydro-5-pyrimidineacrylamide
SpectraBase Compound ID z5mVLfpuFb
InChI InChI=1S/C13H19N3O4S2/c1-8-10(12(19)16-13(20)14-8)3-4-11(18)15-9(5-17)6-22-7-21-2/h3-4,9,17H,5-7H2,1-2H3,(H,15,18)(H2,14,16,19,20)/b4-3+
InChIKey LJFIHLCSTKGOGE-ONEGZZNKSA-N
Mol Weight 345.43 g/mol
Molecular Formula C13H19N3O4S2
Exact Mass 345.081698 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 83xikV14OfG
Name trans-(+/-)-2,4-DIOXO-N-{1-(HYDROXYMETHYL)-2-{[(METHYLTHIO)METHYL]THIO}ETHYL}-6-METHYL-1,2,3,4-TETRAHYDRO-5-PYRIMIDINEACRYLAMIDE,
Source of Sample R. J. Dubois, Microbiological Associates, Bethesda, Maryland, Through the Auspices of the National Cancer Institute
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19N3O4S2
InChI InChI=1S/C13H19N3O4S2/c1-8-10(12(19)16-13(20)14-8)3-4-11(18)15-9(5-17)6-22-7-21-2/h3-4,9,17H,5-7H2,1-2H3,(H,15,18)(H2,14,16,19,20)/b4-3+
InChIKey LJFIHLCSTKGOGE-ONEGZZNKSA-N
Literature Reference J. MED. CHEM. 20, 337(1977)
Melting Point 228-232C
Molecular Weight 345.432007
Synonyms 5-PYRIMIDINEACRYLAMIDE, 2,4-DIOXO- N-/1-/HYDROXYMETHYL/-2-///METHYLTHIO/- METHYL/THIO/ETHYL/-6-METHYL-1,2,3,4- TETRAHYDRO-, TRANS-/PLUS,MINUS/-,
Technique KBr WAFER