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

Systemtic Name: phenethyl 4-[(5-chloranyl-2-methoxy-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 4-(5-chloro-2-methoxy-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(5-chloro-2-methoxyanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(5-chloro-2-methoxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(5-chloro-2-methoxy-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C23H20ClN3O3S MolecularWeight: 453.9412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20ClN3O3S/c1-14-19-21(27-17-12-16(24)8-9-18(17)29-2)25-13-26-22(19)31-20(14)23(28)30-11-10-15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,25,26,27)