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

Systemtic Name: 5-[5-(3-chlorophenyl)-2-(dimethylamino)-8-methoxy-quinazolin-7-yl]thiophene-2-carboxylic acid Openeye Name: 5-[5-(3-chlorophenyl)-2-(dimethylamino)-8-methoxy-quinazolin-7-yl]thiophene-2-carboxylic acid CAS Name: 5-[5-(3-chlorophenyl)-2-(dimethylamino)-8-methoxy-7-quinazolinyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[5-(3-chlorophenyl)-2-(dimethylamino)-8-methoxyquinazolin-7-yl]thiophene-2-carboxylic acid Traditional Name: 5-[5-(3-chlorophenyl)-2-(dimethylamino)-8-methoxy-quinazolin-7-yl]-2-thenoic acid Formula: C22H18ClN3O3S MolecularWeight: 439.91462

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=C2C(=CC(=C(C2=N1)OC)C3=CC=C(S3)C(=O)O)C4=CC(=CC=C4)Cl

Isomeric SMILES

CN(C)C1=NC=C2C(=CC(=C(C2=N1)OC)C3=CC=C(S3)C(=O)O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H18ClN3O3S/c1-26(2)22-24-11-16-14(12-5-4-6-13(23)9-12)10-15(20(29-3)19(16)25-22)17-7-8-18(30-17)21(27)28/h4-11H,1-3H3,(H,27,28)