For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-oxo-2-(1,3,4-Thiadiazol-2-ylamino)ethyl [(4,6-dimethyl-2-pyrimidinyl)sulfanyl]acetate
SpectraBase Compound ID FMS8H9eZ7jR
InChI InChI=1S/C12H13N5O3S2/c1-7-3-8(2)15-11(14-7)21-5-10(19)20-4-9(18)16-12-17-13-6-22-12/h3,6H,4-5H2,1-2H3,(H,16,17,18)
InChIKey YZNBEJKNZXGHSX-UHFFFAOYSA-N
Mol Weight 339.39 g/mol
Molecular Formula C12H13N5O3S2
Exact Mass 339.045982 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2zSNUhyjNrw
Name 2-oxo-2-(1,3,4-Thiadiazol-2-ylamino)ethyl [(4,6-dimethyl-2-pyrimidinyl)sulfanyl]acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 339.045981644 u
Formula C12H13N5O3S2
InChI InChI=1S/C12H13N5O3S2/c1-7-3-8(2)15-11(14-7)21-5-10(19)20-4-9(18)16-12-17-13-6-22-12/h3,6H,4-5H2,1-2H3,(H,16,17,18)
InChIKey YZNBEJKNZXGHSX-UHFFFAOYSA-N
SMILES N(C=1SC=NN1)C(=O)COC(=O)CSC=1N=C(C)C=C(N1)C