[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 5-bromanylpyridine-3-carboxylate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 5-bromanylpyridine-3-carboxylate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C17H11BrN4O3 MolecularWeight: 399.19824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)C3=CC(=CN=C3)Br)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)C3=CC(=CN=C3)Br)CC#N

InChI

InChI=1S/C17H11BrN4O3/c18-12-7-11(8-20-9-12)17(24)25-10-15-21-14-4-2-1-3-13(14)16(23)22(15)6-5-19/h1-4,7-9H,6,10H2