2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]butanoic acid

Systemtic Name: 2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]butanoic acid Openeye Name: 2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]butanoic acid CAS Name: 2-[(4-oxo-1H-quinazolin-2-yl)thio]butanoic acid IUPAC Name: 2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]butanoic acid Traditional Name: 2-[(4-keto-1H-quinazolin-2-yl)thio]butyric acid Formula: C12H12N2O3S MolecularWeight: 264.30028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=NC(=O)C2=CC=CC=C2N1

Isomeric SMILES

CCC(C(=O)O)SC1=NC(=O)C2=CC=CC=C2N1

InChI

InChI=1S/C12H12N2O3S/c1-2-9(11(16)17)18-12-13-8-6-4-3-5-7(8)10(15)14-12/h3-6,9H,2H2,1H3,(H,16,17)(H,13,14,15)