3-(2-Furylmethyl)-2-[(2-oxo-2-phenylethyl)thio]-3,4-dihydroquinazolin-4-one

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Systematic / IUPAC Name: 3-(2-Furylmethyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-4(3H)-quinazolinone

ID: Reference6111

Other Names: 3-Furan-2-ylmethyl-2-(2-oxo-2-phenyl-ethylsulfanyl)-3H-quinazolin-4-one;
3-(Furan-2-ylmethyl)-2-phenacylsulfanylquinazolin-4-one

Formula: C21H16N2O3S

Spectral Data

3-(2-Furylmethyl)-2-[(2-oxo-2-phenylethyl)thio]-3,4-dihydroquinazolin-4-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 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/28/2016 9:40:13 AM
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Identificators

InChI InChI=1S/C21H16N2O3S/c24-19(15-7-2-1-3-8-15)14-27-21-22-18-11-5-4-10-17(18)20(25)23(21)13-16-9-6-12-26-16/h1-12H,13-14H2
InChI Key AKRNQWJWQFZKEH-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4
CAS
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Other Names 3-Furan-2-ylmethyl-2-(2-oxo-2-phenyl-ethylsulfanyl)-3H-quinazolin-4-one;
3-(Furan-2-ylmethyl)-2-phenacylsulfanylquinazolin-4-one

In Other Databases

ChemSpider 484408
PubChem 557235
ChEMBL CHEMBL1367064