2-phenylmethoxyethyl 4-chloranyl-6-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: 2-phenylmethoxyethyl 4-chloranyl-6-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: 2-benzyloxyethyl 4-chloro-6-[(3-chloro-4-methoxy-phenyl)methylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-chloro-6-[(3-chloro-4-methoxyphenyl)methylamino]-2-(methylthio)-5-pyrimidinecarboxylic acid 2-phenylmethoxyethyl ester IUPAC Name: 2-phenylmethoxyethyl 4-chloro-6-[(3-chloro-4-methoxyphenyl)methylamino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-chloro-6-[(3-chloro-4-methoxy-benzyl)amino]-2-(methylthio)pyrimidine-5-carboxylic acid 2-benzoxyethyl ester Formula: C23H23Cl2N3O4S MolecularWeight: 508.41742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C(C(=NC(=N2)SC)Cl)C(=O)OCCOCC3=CC=CC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C(C(=NC(=N2)SC)Cl)C(=O)OCCOCC3=CC=CC=C3)Cl

InChI

InChI=1S/C23H23Cl2N3O4S/c1-30-18-9-8-16(12-17(18)24)13-26-21-19(20(25)27-23(28-21)33-2)22(29)32-11-10-31-14-15-6-4-3-5-7-15/h3-9,12H,10-11,13-14H2,1-2H3,(H,26,27,28)