ethyl 2-methylsulfanyl-4-(2-phenylmethoxyethylamino)pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-4-(2-phenylmethoxyethylamino)pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2-benzyloxyethylamino)-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-(2-phenylmethoxyethylamino)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-(2-phenylmethoxyethylamino)pyrimidine-5-carboxylate Traditional Name: 4-(2-benzoxyethylamino)-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NCCOCC2=CC=CC=C2)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NCCOCC2=CC=CC=C2)SC

InChI

InChI=1S/C17H21N3O3S/c1-3-23-16(21)14-11-19-17(24-2)20-15(14)18-9-10-22-12-13-7-5-4-6-8-13/h4-8,11H,3,9-10,12H2,1-2H3,(H,18,19,20)