1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)isonicotinic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC(=NC(=C3C#N)SC)C4CC4

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC(=NC(=C3C#N)SC)C4CC4

InChI

InChI=1S/C21H18N4O3S/c1-11(18-23-16-6-4-3-5-13(16)19(26)25-18)28-21(27)14-9-17(12-7-8-12)24-20(29-2)15(14)10-22/h3-6,9,11-12H,7-8H2,1-2H3,(H,23,25,26)