| SpectraBase Spectrum ID |
IvJSBrv6oII |
| Name |
Trans-(+)-N-[2-(butylsulfinyl)-1-hydroxymethyl)ethyl]-2,4-dioxo-6-methyl-1,2,3,4-tetrahydro-5-pyrimidineacrylamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
357.135842022 u |
| 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 |
| SMILES |
N1C(NC(C(\C=C\C(NC(CO)CS(CCCC)=O)=O)=C1C)=O)=O |
![trans-(+)-N-[2-(butylsulfinyl)-1-hydroxymethyl)ethyl]-2,4-dioxo-6-methyl-1,2,3,4-tetrahydro-5-pyrimidineacrylamide](/api/spectrum/IvJSBrv6oII/structure.png?h=300&w=458 "trans-(+)-N-[2-(butylsulfinyl)-1-hydroxymethyl)ethyl]-2,4-dioxo-6-methyl-1,2,3,4-tetrahydro-5-pyrimidineacrylamide")
