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trans-(+)-N-[2-(butylsulfinyl)-1-hydroxymethyl)ethyl]-2,4-dioxo-6-methyl-1,2,3,4-tetrahydro-5-pyrimidineacrylamide
SpectraBase Compound ID 6PSQdxHTEFi
InChI InChI=1S/C15H23N3O5S/c1-3-4-7-24(23)9-11(8-19)17-13(20)6-5-12-10(2)16-15(22)18-14(12)21/h5-6,11,19H,3-4,7-9H2,1-2H3,(H,17,20)(H2,16,18,21,22)/b6-5+
InChIKey VTHCVIXENYOZQB-AATRIKPKSA-N
Mol Weight 357.43 g/mol
Molecular Formula C15H23N3O5S
Exact Mass 357.135842 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 5ym3SLiBqFp
Name trans-(+/-)-N-[2-(BUTYLSULFINYL)-1-(HYDROXYMETHYL)ETHYL]-2,4-DIOXO-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 C15H23N3O5S
InChI InChI=1S/C15H23N3O5S/c1-3-4-7-24(23)9-11(8-19)17-13(20)6-5-12-10(2)16-15(22)18-14(12)21/h5-6,11,19H,3-4,7-9H2,1-2H3,(H,17,20)(H2,16,18,21,22)/b6-5+
InChIKey VTHCVIXENYOZQB-AATRIKPKSA-N
Literature Reference J. MED. CHEM. 20, 337(1977)
Melting Point 192C (dec.)
Molecular Weight 357.424720
Synonyms 5-PYRIMIDINEACRYLAMIDE, N-/2-/BUTYL- SULFINYL/-1-/HYDROXYMETHYL/ETHYL/- 2,4-DIOXO-6-METHYL-1,2,3,4-TETRAHYDRO-, TRANS-/PLUS,MINUS/-,
Technique KBr WAFER