3-cyclopropyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: 3-cyclopropyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: 3-cyclopropyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-cyclopropyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate IUPAC Name: 3-cyclopropyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-cyclopropyl-4-keto-2-thioxo-1H-quinazoline-7-carboxylate Formula: C12H9N2O3S- MolecularWeight: 261.27646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)C3=C(C=C(C=C3)C(=O)[O-])NC2=S

Isomeric SMILES

C1CC1N2C(=O)C3=C(C=C(C=C3)C(=O)[O-])NC2=S

InChI

InChI=1S/C12H10N2O3S/c15-10-8-4-1-6(11(16)17)5-9(8)13-12(18)14(10)7-2-3-7/h1,4-5,7H,2-3H2,(H,13,18)(H,16,17)/p-1