2-quinazolin-4-ylsulfanylbutanoic acid

Systemtic Name: 2-quinazolin-4-ylsulfanylbutanoic acid Openeye Name: 2-quinazolin-4-ylsulfanylbutanoic acid CAS Name: 2-(4-quinazolinylthio)butanoic acid IUPAC Name: 2-quinazolin-4-ylsulfanylbutanoic acid Traditional Name: 2-(quinazolin-4-ylthio)butyric acid Formula: C12H12N2O2S MolecularWeight: 248.30088

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=NC=NC2=CC=CC=C21

Isomeric SMILES

CCC(C(=O)O)SC1=NC=NC2=CC=CC=C21

InChI

InChI=1S/C12H12N2O2S/c1-2-10(12(15)16)17-11-8-5-3-4-6-9(8)13-7-14-11/h3-7,10H,2H2,1H3,(H,15,16)