2-[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoic acid

Systemtic Name: 2-[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoic acid Openeye Name: 2-[3-(cyanomethyl)-4-oxo-quinazolin-2-yl]sulfanylpropanoic acid CAS Name: 2-[[3-(cyanomethyl)-4-oxo-2-quinazolinyl]thio]propanoic acid IUPAC Name: 2-[3-(cyanomethyl)-4-oxoquinazolin-2-yl]sulfanylpropanoic acid Traditional Name: 2-[[3-(cyanomethyl)-4-keto-quinazolin-2-yl]thio]propionic acid Formula: C13H11N3O3S MolecularWeight: 289.30974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC2=CC=CC=C2C(=O)N1CC#N

Isomeric SMILES

CC(C(=O)O)SC1=NC2=CC=CC=C2C(=O)N1CC#N

InChI

InChI=1S/C13H11N3O3S/c1-8(12(18)19)20-13-15-10-5-3-2-4-9(10)11(17)16(13)7-6-14/h2-5,8H,7H2,1H3,(H,18,19)