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

Systemtic Name: ethyl 4-[(2-chloranyl-5-methoxycarbonyl-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(2-chloro-5-methoxycarbonyl-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(2-chloro-5-methoxycarbonylanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-chloro-5-methoxycarbonylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(5-carbomethoxy-2-chloro-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H16ClN3O4S MolecularWeight: 405.85534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O4S/c1-4-26-18(24)14-9(2)13-15(20-8-21-16(13)27-14)22-12-7-10(17(23)25-3)5-6-11(12)19/h5-8H,4H2,1-3H3,(H,20,21,22)