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

*Links on SpectraBase are not permalinks.
2-[(4-Amino-6-hydroxy-2-pyrimidinyl)sulfanyl]-1-(2,4-dichlorophenyl)ethanone
SpectraBase Compound ID 7CD3CshUkNQ
InChI InChI=1S/C12H9Cl2N3O2S/c13-6-1-2-7(8(14)3-6)9(18)5-20-12-16-10(15)4-11(19)17-12/h1-4H,5H2,(H3,15,16,17,19)
InChIKey ANRLPGLFIQPEGG-UHFFFAOYSA-N
Mol Weight 330.19 g/mol
Molecular Formula C12H9Cl2N3O2S
Exact Mass 328.979253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID JMWoXaU09FY
Name 2-[(4-Amino-6-hydroxy-2-pyrimidinyl)sulfanyl]-1-(2,4-dichlorophenyl)ethanone
CAS Registry Number 309742-70-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9Cl2N3O2S
InChI InChI=1S/C12H9Cl2N3O2S/c13-6-1-2-7(8(14)3-6)9(18)5-20-12-16-10(15)4-11(19)17-12/h1-4H,5H2,(H3,15,16,17,19)
InChIKey ANRLPGLFIQPEGG-UHFFFAOYSA-N
Molecular Weight 330.189 g/mol
SMILES Nc1cc(nc(n1)SCC(c1c(cc(cc1)Cl)Cl)=O)O
SPLASH splash10-006y-2960000000-c72984e63c99c071fc25
Source of Spectrum AD-0-2532-0
Synonyms 6-Amino-2-[2-(2,4-dichlorophenyl)-2-oxo-ethyl]sulfanyl-1H-pyrimidin-4-one 6-Amino-2-[[2-(2,4-dichlorophenyl)-2-keto-ethyl]thio]-1H-pyrimidin-4-one 6-Amino-2-[[2-(2,4-dichlorophenyl)-2-oxoethyl]thio]-1H-pyrimidin-4-one 6-Azanyl-2-[2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one Ethanone, 1-(2,4-dichlorophenyl)-2-(4-amino-6-hydroxy-2-pyrimidylthio)-
Wiley ID 1433685