ethyl 4-[(2-chlorophenyl)amino]-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-[(2-chlorophenyl)amino]-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(2-chloroanilino)-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(2-chloroanilino)-5-methyl-2-phenyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-chloroanilino)-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(2-chloroanilino)-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H18ClN3O2S MolecularWeight: 423.91522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C3=CC=CC=C3)NC4=CC=CC=C4Cl)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C3=CC=CC=C3)NC4=CC=CC=C4Cl)C

InChI

InChI=1S/C22H18ClN3O2S/c1-3-28-22(27)18-13(2)17-20(24-16-12-8-7-11-15(16)23)25-19(26-21(17)29-18)14-9-5-4-6-10-14/h4-12H,3H2,1-2H3,(H,24,25,26)