(4-azanylquinazolin-2-yl)methyl 1-(4-methylphenyl)-5-oxidanylidene-2-thiophen-2-yl-pyrrolidine-3-carboxylate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 1-(4-methylphenyl)-5-oxidanylidene-2-thiophen-2-yl-pyrrolidine-3-carboxylate Openeye Name: (4-aminoquinazolin-2-yl)methyl 5-oxo-1-(p-tolyl)-2-(2-thienyl)pyrrolidine-3-carboxylate CAS Name: 1-(4-methylphenyl)-5-oxo-2-thiophen-2-yl-3-pyrrolidinecarboxylic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxylate Traditional Name: 5-keto-1-(p-tolyl)-2-(2-thienyl)pyrrolidine-3-carboxylic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(CC2=O)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(C(CC2=O)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N)C5=CC=CS5

InChI

InChI=1S/C25H22N4O3S/c1-15-8-10-16(11-9-15)29-22(30)13-18(23(29)20-7-4-12-33-20)25(31)32-14-21-27-19-6-3-2-5-17(19)24(26)28-21/h2-12,18,23H,13-14H2,1H3,(H2,26,27,28)