ethyl 2-[(2-chloranyl-6,7-dimethoxy-quinazolin-4-yl)amino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-chloranyl-6,7-dimethoxy-quinazolin-4-yl)amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-chloro-6,7-dimethoxy-quinazolin-4-yl)amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[(2-chloro-6,7-dimethoxy-4-quinazolinyl)amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(2-chloro-6,7-dimethoxy-quinazolin-4-yl)amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H20ClN3O4S MolecularWeight: 469.9406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC3=NC(=NC4=CC(=C(C=C43)OC)OC)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC3=NC(=NC4=CC(=C(C=C43)OC)OC)Cl

InChI

InChI=1S/C23H20ClN3O4S/c1-4-31-22(28)19-15(13-8-6-5-7-9-13)12-32-21(19)26-20-14-10-17(29-2)18(30-3)11-16(14)25-23(24)27-20/h5-12H,4H2,1-3H3,(H,25,26,27)