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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 5-methylpyrazine-2-carboxylate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C17H13N5O3 MolecularWeight: 335.31682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C17H13N5O3/c1-11-8-20-14(9-19-11)17(24)25-10-15-21-13-5-3-2-4-12(13)16(23)22(15)7-6-18/h2-5,8-9H,7,10H2,1H3