ethyl 4-[[4-[2-(4-bromanylphenoxy)propanoyloxy]phenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[4-[2-(4-bromanylphenoxy)propanoyloxy]phenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-[2-(4-bromophenoxy)propanoyloxy]anilino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[4-[2-(4-bromophenoxy)-1-oxopropoxy]anilino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-(4-bromophenoxy)propanoyloxy]anilino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[4-[2-(4-bromophenoxy)propanoyloxy]anilino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C23H22BrN3O5S MolecularWeight: 532.40688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)OC(=O)C(C)OC3=CC=C(C=C3)Br)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)OC(=O)C(C)OC3=CC=C(C=C3)Br)SC

InChI

InChI=1S/C23H22BrN3O5S/c1-4-30-22(29)19-13-25-23(33-3)27-20(19)26-16-7-11-18(12-8-16)32-21(28)14(2)31-17-9-5-15(24)6-10-17/h5-14H,4H2,1-3H3,(H,25,26,27)