3-quinazolin-4-ylsulfanylpropanoic acid

Systemtic Name: 3-quinazolin-4-ylsulfanylpropanoic acid Openeye Name: 3-quinazolin-4-ylsulfanylpropanoic acid CAS Name: 3-(4-quinazolinylthio)propanoic acid IUPAC Name: 3-quinazolin-4-ylsulfanylpropanoic acid Traditional Name: 3-(quinazolin-4-ylthio)propionic acid Formula: C11H10N2O2S MolecularWeight: 234.2743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC=N2)SCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC=N2)SCCC(=O)O

InChI

InChI=1S/C11H10N2O2S/c14-10(15)5-6-16-11-8-3-1-2-4-9(8)12-7-13-11/h1-4,7H,5-6H2,(H,14,15)