4-[5-(5-chloranylthiophen-2-yl)-8-methoxy-2-(methylamino)quinazolin-7-yl]benzoic acid

Systemtic Name: 4-[5-(5-chloranylthiophen-2-yl)-8-methoxy-2-(methylamino)quinazolin-7-yl]benzoic acid Openeye Name: 4-[5-(5-chloro-2-thienyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]benzoic acid CAS Name: 4-[5-(5-chloro-2-thiophenyl)-8-methoxy-2-(methylamino)-7-quinazolinyl]benzoic acid IUPAC Name: 4-[5-(5-chlorothiophen-2-yl)-8-methoxy-2-(methylamino)quinazolin-7-yl]benzoic acid Traditional Name: 4-[5-(5-chloro-2-thienyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]benzoic 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(C=C3)C(=O)O)C4=CC=C(S4)Cl

Isomeric SMILES

CNC1=NC=C2C(=CC(=C(C2=N1)OC)C3=CC=C(C=C3)C(=O)O)C4=CC=C(S4)Cl

InChI

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