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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCC(=O)O)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCC(=O)O)CC#N

InChI

InChI=1S/C13H11N3O3S/c14-6-7-16-12(19)9-3-1-2-4-10(9)15-13(16)20-8-5-11(17)18/h1-4H,5,7-8H2,(H,17,18)