5,6-Dimethyl-3-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one

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Systematic / IUPAC Name: 5,6-Dimethyl-3-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one

ID: Reference4449

Other Names: Thieno[2,3-d]pyrimidin-4(1H)-one, 2,3-dihydro-5,6-dimethyl-3-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-2-thioxo-

Formula: C18H16N4OS2

Spectral Data

5,6-Dimethyl-3-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 234
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/7/2016 11:04:28 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C18H16N4OS2/c1-10-9-14(22(20-10)13-7-5-4-6-8-13)21-17(23)15-11(2)12(3)25-16(15)19-18(21)24/h4-9H,1-3H3,(H,19,24)
InChI Key SOACDETYRRJVAX-UHFFFAOYSA-N
Canonical SMILES CC1=NN(C(=C1)N2C(=O)C3=C(NC2=S)SC(=C3C)C)C4=CC=CC=C4
CAS
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Other Names Thieno[2,3-d]pyrimidin-4(1H)-one, 2,3-dihydro-5,6-dimethyl-3-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-2-thioxo-

In Other Databases

ChemSpider 2095062
PubChem 2816731