N3-(2-Mercapto-4-oxo-3,4-dihydroquinazolin-3-yl)nicotinamide

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Systematic / IUPAC Name: N-(4-Oxo-2-thioxo-1,4-dihydro-3(2H)-quinazolinyl)nicotinamide

ID: Reference6344

Other Names: N-[4-Oxo-2-thioxo(1,3-dihydroquinazolin-3-yl)]-3-pyridylcarboxamide ;
3-Pyridinecarboxamide, N-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)-

Formula: C14H10N4O2S

Spectral Data

N3-(2-Mercapto-4-oxo-3,4-dihydroquinazolin-3-yl)nicotinamide 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 2/24/2017 7:04:28 AM
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Identificators

InChI InChI=1S/C14H10N4O2S/c19-12(9-4-3-7-15-8-9)17-18-13(20)10-5-1-2-6-11(10)16-14(18)21/h1-8H,(H,16,21)(H,17,19)
InChI Key RUKJUGJTYJIBAZ-UHFFFAOYSA-N
Canonical SMILES C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NC(=O)C3=CN=CC=C3
CAS
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Other Names N-[4-Oxo-2-thioxo(1,3-dihydroquinazolin-3-yl)]-3-pyridylcarboxamide ;
3-Pyridinecarboxamide, N-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)-

In Other Databases

PubChem 674544
ChemSpider 587373