(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C21H14ClN3O3S MolecularWeight: 423.87216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C21H14ClN3O3S/c22-13-8-9-15-17(11-13)24-18(25-19(15)26)12-28-21(27)16-7-4-10-23-20(16)29-14-5-2-1-3-6-14/h1-11H,12H2,(H,24,25,26)