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Isothiazolo[5,4-d]pyrimidin-4(5H)-one, 3,6-dimethyl-
SpectraBase Compound ID 80sWVfTSpaj
InChI InChI=1S/C7H7N3OS/c1-3-5-6(11)8-4(2)9-7(5)12-10-3/h1-2H3,(H,8,9,11)
InChIKey SUGPWQSEQTWLSH-UHFFFAOYSA-N
Mol Weight 181.21 g/mol
Molecular Formula C7H7N3OS
Exact Mass 181.030983 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9RPeghNM5p0
Name Isothiazolo[5,4-d]pyrimidin-4(5H)-one, 3,6-dimethyl-
CAS Registry Number 58648-96-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H7N3OS
InChI InChI=1S/C7H7N3OS/c1-3-5-6(11)8-4(2)9-7(5)12-10-3/h1-2H3,(H,8,9,11)
InChIKey SUGPWQSEQTWLSH-UHFFFAOYSA-N
Molecular Weight 181.213 g/mol
SMILES N1C(c2c(N=C1C)snc2C)=O
SPLASH splash10-000x-4900000000-73ca749c88464057a1e4
Source of Spectrum Y-12-886-0
Synonyms 3,6-Dimethyl-5H-isothiazolo(5,4-d)pyrimidin-4-one 3,6-Dimethylisothiazolo[5,4-d]pyrimidin-4(5H)-one
Wiley ID 1177216