O4-[[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-[[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-[[3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[[3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl] ester O2-ethyl ester IUPAC Name: 4-O-[[3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[[3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl] ester O2-ethyl ester Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)C

InChI

InChI=1S/C21H20N4O5/c1-4-29-21(28)18-12(2)17(13(3)23-18)20(27)30-11-16-24-15-8-6-5-7-14(15)19(26)25(16)10-9-22/h5-8,23H,4,10-11H2,1-3H3