ethyl 2-[(2-chloranylquinazolin-4-yl)amino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-chloranylquinazolin-4-yl)amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-chloroquinazolin-4-yl)amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[(2-chloro-4-quinazolinyl)amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-chloroquinazolin-4-yl)amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(2-chloroquinazolin-4-yl)amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H16ClN3O2S MolecularWeight: 409.88864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClN3O2S/c1-2-27-20(26)17-15(13-8-4-3-5-9-13)12-28-19(17)24-18-14-10-6-7-11-16(14)23-21(22)25-18/h3-12H,2H2,1H3,(H,23,24,25)