3-(3-Methoxypropyl)-2-thioxo-1,2,3,4-tetrahydroquinazolin-4-one

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

ID: Reference6612

Other Names: 2-Mercapto-3-(3-methoxypropyl)-3H-quinazolin-4-one;
2-Mercapto-3-(3-methoxypropyl)quinazolin-4(3H)-one;
3-(3-Methoxypropyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one;
3-(3-Methoxypropyl)-2-sulfanyl-3-hydroquinazolin-4-one;
3-(3-Methoxypropyl)-2-sulfanylidene-1H-quinazolin-4-one ; more

Formula: C12H14N2O2S

Spectral Data

3-(3-Methoxypropyl)-2-thioxo-1,2,3,4-tetrahydroquinazolin-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 7/14/2017 5:17:59 AM
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Identificators

InChI InChI=1S/C12H14N2O2S/c1-16-8-4-7-14-11(15)9-5-2-3-6-10(9)13-12(14)17/h2-3,5-6H,4,7-8H2,1H3,(H,13,17)
InChI Key KMPHWZNAXDTNMH-UHFFFAOYSA-N
Canonical SMILES COCCCN1C(=O)C2=CC=CC=C2NC1=S
CAS
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Other Names 2-Mercapto-3-(3-methoxypropyl)-3H-quinazolin-4-one;
2-Mercapto-3-(3-methoxypropyl)quinazolin-4(3H)-one;
3-(3-Methoxypropyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one;
3-(3-Methoxypropyl)-2-sulfanyl-3-hydroquinazolin-4-one;
3-(3-Methoxypropyl)-2-sulfanylidene-1H-quinazolin-4-one;
3-(3-Methoxypropyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one;
3-(3-Methoxypropyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one;
4(1H)-Quinazolinone,2,3-dihydro-3-(3-methoxypropyl)-2-thioxo-

In Other Databases

PubChem 2266931
ChemSpider 1694629