ethyl 2-methylsulfanyl-4-(1-phenylethylamino)pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-4-(1-phenylethylamino)pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-(1-phenylethylamino)pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-(1-phenylethylamino)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-(1-phenylethylamino)pyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-(1-phenylethylamino)pyrimidine-5-carboxylic acid ethyl ester Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC(C)C2=CC=CC=C2)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC(C)C2=CC=CC=C2)SC

InChI

InChI=1S/C16H19N3O2S/c1-4-21-15(20)13-10-17-16(22-3)19-14(13)18-11(2)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,17,18,19)