methyl 3-(2-pyridin-3-ylquinazolin-4-yl)sulfanylpropanoate

Systemtic Name: methyl 3-(2-pyridin-3-ylquinazolin-4-yl)sulfanylpropanoate Openeye Name: methyl 3-[2-(3-pyridyl)quinazolin-4-yl]sulfanylpropanoate CAS Name: 3-[[2-(3-pyridinyl)-4-quinazolinyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-(2-pyridin-3-ylquinazolin-4-yl)sulfanylpropanoate Traditional Name: 3-[[2-(3-pyridyl)quinazolin-4-yl]thio]propionic acid methyl ester Formula: C17H15N3O2S MolecularWeight: 325.3849

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=NC(=NC2=CC=CC=C21)C3=CN=CC=C3

Isomeric SMILES

COC(=O)CCSC1=NC(=NC2=CC=CC=C21)C3=CN=CC=C3

InChI

InChI=1S/C17H15N3O2S/c1-22-15(21)8-10-23-17-13-6-2-3-7-14(13)19-16(20-17)12-5-4-9-18-11-12/h2-7,9,11H,8,10H2,1H3