(4-azanylquinazolin-2-yl)methyl 1-(4-chlorophenyl)-6-methyl-4-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 1-(4-chlorophenyl)-6-methyl-4-oxidanylidene-pyridazine-3-carboxylate Openeye Name: (4-aminoquinazolin-2-yl)methyl 1-(4-chlorophenyl)-6-methyl-4-oxo-pyridazine-3-carboxylate CAS Name: 1-(4-chlorophenyl)-6-methyl-4-oxo-3-pyridazinecarboxylic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate Traditional Name: 1-(4-chlorophenyl)-4-keto-6-methyl-pyridazine-3-carboxylic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C21H16ClN5O3 MolecularWeight: 421.83644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=C(C=C2)Cl)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=C(C=C2)Cl)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C21H16ClN5O3/c1-12-10-17(28)19(26-27(12)14-8-6-13(22)7-9-14)21(29)30-11-18-24-16-5-3-2-4-15(16)20(23)25-18/h2-10H,11H2,1H3,(H2,23,24,25)