2-Mercapto-6-methyl-3-(3-pyridyl)-3,4-dihydroquinazolin-4-one

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Systematic / IUPAC Name: 6-Methyl-3-(3-pyridinyl)-2-thioxo-2,3-dihydro-4(1H)-quinazolinone

ID: Reference5242

Other Names: 4(1H)-Quinazolinone, 2,3-dihydro-6-methyl-3-(3-pyridinyl)-2-thioxo-

Formula: C14H11N3OS

Spectral Data

2-Mercapto-6-methyl-3-(3-pyridyl)-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 2
No. of Spectra 238
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 7/22/2016 12:09:35 PM
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Identificators

InChI InChI=1S/C14H11N3OS/c1-9-4-5-12-11(7-9)13(18)17(14(19)16-12)10-3-2-6-15-8-10/h2-8H,1H3,(H,16,19)
InChI Key XCOGKYCJJGUNMN-UHFFFAOYSA-N
Canonical SMILES CC1=CC2=C(C=C1)NC(=S)N(C2=O)C3=CN=CC=C3
CAS
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Other Names 4(1H)-Quinazolinone, 2,3-dihydro-6-methyl-3-(3-pyridinyl)-2-thioxo-

In Other Databases

ChemSpider 2007905
PubChem 2725833
ChEMBL CHEMBL1383660