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

Systemtic Name: ethyl 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(3-chloro-4-fluoro-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(3-chloro-4-fluoroanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-chloro-4-fluoroanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3-chloro-4-fluoro-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C16H13ClFN3O2S MolecularWeight: 365.809723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NC3=CC(=C(C=C3)F)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NC3=CC(=C(C=C3)F)Cl)C

InChI

InChI=1S/C16H13ClFN3O2S/c1-3-23-16(22)13-8(2)12-14(19-7-20-15(12)24-13)21-9-4-5-11(18)10(17)6-9/h4-7H,3H2,1-2H3,(H,19,20,21)