3,4-Diphenylpyrimido[4',5':4,5]thieno[2,3-c]pyridazin-8(7H)-one

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Systematic / IUPAC Name: 3,4-Diphenylpyrimido[4',5':4,5]thieno[2,3-c]pyridazin-8(5H)-one

ID: Reference3696

Other Names: Pyrimido[4',5':4,5]thieno[2,3-c]pyridazin-8(5H)-one, 3,4-diphenyl-

Formula: C20H12N4OS

Spectral Data

3,4-Diphenylpyrimido[4',5':4,5]thieno[2,3-c]pyridazin-8(7H)-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 238
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/4/2016 9:51:15 AM
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Identificators

InChI InChI=1S/C20H12N4OS/c25-19-18-17(21-11-22-19)15-14(12-7-3-1-4-8-12)16(23-24-20(15)26-18)13-9-5-2-6-10-13/h1-11H,(H,21,22,25)
InChI Key XORFIPIPEHWMLI-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)C2=C3C4=C(C(=O)N=CN4)SC3=NN=C2C5=CC=CC=C5
CAS
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Other Names Pyrimido[4',5':4,5]thieno[2,3-c]pyridazin-8(5H)-one, 3,4-diphenyl-

In Other Databases

ChemSpider 2092074
PubChem 2813673