ethyl 2-methylsulfanyl-4-[[3-(3-phenylpropanoyloxy)phenyl]amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-4-[[3-(3-phenylpropanoyloxy)phenyl]amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-[3-(3-phenylpropanoyloxy)anilino]pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-[3-(1-oxo-3-phenylpropoxy)anilino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-[3-(3-phenylpropanoyloxy)anilino]pyrimidine-5-carboxylate Traditional Name: 4-(3-hydrocinnamoyloxyanilino)-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)CCC3=CC=CC=C3)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)CCC3=CC=CC=C3)SC

InChI

InChI=1S/C23H23N3O4S/c1-3-29-22(28)19-15-24-23(31-2)26-21(19)25-17-10-7-11-18(14-17)30-20(27)13-12-16-8-5-4-6-9-16/h4-11,14-15H,3,12-13H2,1-2H3,(H,24,25,26)