(4-azanylquinazolin-2-yl)methyl 2-(3-methoxypropyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 2-(3-methoxypropyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (4-aminoquinazolin-2-yl)methyl 2-(3-methoxypropyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-methoxypropyl)-1,3-dioxo-5-isoindolecarboxylic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(3-methoxypropyl)isoindoline-5-carboxylic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C22H20N4O5 MolecularWeight: 420.418

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C22H20N4O5/c1-30-10-4-9-26-20(27)14-8-7-13(11-16(14)21(26)28)22(29)31-12-18-24-17-6-3-2-5-15(17)19(23)25-18/h2-3,5-8,11H,4,9-10,12H2,1H3,(H2,23,24,25)