[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C18H14N4O3S MolecularWeight: 366.39376

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C18H14N4O3S/c1-26-16-13(6-4-9-20-16)18(24)25-11-15-21-14-7-3-2-5-12(14)17(23)22(15)10-8-19/h2-7,9H,10-11H2,1H3