(4-azanylquinazolin-2-yl)methyl 4-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 4-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: (4-aminoquinazolin-2-yl)methyl 4-(thiophene-2-carbonylamino)benzoate CAS Name: 4-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 4-(thiophene-2-carbonylamino)benzoate Traditional Name: 4-(2-thenoylamino)benzoic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)COC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CS4)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)COC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CS4)N

InChI

InChI=1S/C21H16N4O3S/c22-19-15-4-1-2-5-16(15)24-18(25-19)12-28-21(27)13-7-9-14(10-8-13)23-20(26)17-6-3-11-29-17/h1-11H,12H2,(H,23,26)(H2,22,24,25)