2-(cyanomethylsulfanyl)-4-oxidanylidene-3-pentyl-quinazoline-7-carboxylate

Systemtic Name: 2-(cyanomethylsulfanyl)-4-oxidanylidene-3-pentyl-quinazoline-7-carboxylate Openeye Name: 2-(cyanomethylsulfanyl)-4-oxo-3-pentyl-quinazoline-7-carboxylate CAS Name: 2-(cyanomethylthio)-4-oxo-3-pentyl-7-quinazolinecarboxylate IUPAC Name: 2-(cyanomethylsulfanyl)-4-oxo-3-pentylquinazoline-7-carboxylate Traditional Name: 3-amyl-2-(cyanomethylthio)-4-keto-quinazoline-7-carboxylate Formula: C16H16N3O3S- MolecularWeight: 330.38154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)[O-])N=C1SCC#N

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)[O-])N=C1SCC#N

InChI

InChI=1S/C16H17N3O3S/c1-2-3-4-8-19-14(20)12-6-5-11(15(21)22)10-13(12)18-16(19)23-9-7-17/h5-6,10H,2-4,8-9H2,1H3,(H,21,22)/p-1