4-oxidanylidene-3-pyridin-2-yl-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: 4-oxidanylidene-3-pyridin-2-yl-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: 4-oxo-3-(2-pyridyl)-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-3-(2-pyridinyl)-2-sulfanylidene-1H-quinazoline-7-carboxylate IUPAC Name: 4-oxo-3-pyridin-2-yl-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-(2-pyridyl)-2-thioxo-1H-quinazoline-7-carboxylate Formula: C14H8N3O3S- MolecularWeight: 298.29662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)[O-])NC2=S

Isomeric SMILES

C1=CC=NC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)[O-])NC2=S

InChI

InChI=1S/C14H9N3O3S/c18-12-9-5-4-8(13(19)20)7-10(9)16-14(21)17(12)11-3-1-2-6-15-11/h1-7H,(H,16,21)(H,19,20)/p-1