5-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]thiophene-2-carboxylic acid

Systemtic Name: 5-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]thiophene-2-carboxylic acid Openeye Name: 5-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]thiophene-2-carboxylic acid CAS Name: 5-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)-7-quinazolinyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]thiophene-2-carboxylic acid Traditional Name: 5-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]-2-thenoic acid Formula: C21H16ClN3O3S MolecularWeight: 425.88804

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=C2C(=CC(=C(C2=N1)OC)C3=CC=C(S3)C(=O)O)C4=CC(=CC=C4)Cl

Isomeric SMILES

CNC1=NC=C2C(=CC(=C(C2=N1)OC)C3=CC=C(S3)C(=O)O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H16ClN3O3S/c1-23-21-24-10-15-13(11-4-3-5-12(22)8-11)9-14(19(28-2)18(15)25-21)16-6-7-17(29-16)20(26)27/h3-10H,1-2H3,(H,26,27)(H,23,24,25)