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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl pyrazine-2-carboxylate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl pyrazine-2-carboxylate Traditional Name: pyrazinic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C16H11N5O3 MolecularWeight: 321.29024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11N5O3/c17-5-8-21-14(10-24-16(23)13-9-18-6-7-19-13)20-12-4-2-1-3-11(12)15(21)22/h1-4,6-7,9H,8,10H2