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

Systemtic Name: phenethyl 4-[(2-chloranyl-5-methoxycarbonyl-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C24H20ClN3O4S MolecularWeight: 481.9513

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=C(C=CC(=C3)C(=O)OC)Cl)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=C(C=CC(=C3)C(=O)OC)Cl)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C24H20ClN3O4S/c1-14-19-21(28-18-12-16(23(29)31-2)8-9-17(18)25)26-13-27-22(19)33-20(14)24(30)32-11-10-15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,26,27,28)