[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-(4-oxidanylidenequinazolin-3-yl)ethanoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-(4-oxidanylidenequinazolin-3-yl)ethanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate CAS Name: 2-(4-oxo-3-quinazolinyl)acetic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate Traditional Name: 2-(4-ketoquinazolin-3-yl)acetic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C21H15N5O4 MolecularWeight: 401.3749

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)OCC3=NC4=CC=CC=C4C(=O)N3CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)OCC3=NC4=CC=CC=C4C(=O)N3CC#N

InChI

InChI=1S/C21H15N5O4/c22-9-10-26-18(24-17-8-4-2-6-15(17)21(26)29)12-30-19(27)11-25-13-23-16-7-3-1-5-14(16)20(25)28/h1-8,13H,10-12H2