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

Systemtic Name: ethyl 4-[[4-(diethylamino)phenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(diethylamino)anilino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[4-(diethylamino)anilino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(diethylamino)anilino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[4-(diethylamino)anilino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC2=NC(=NC=C2C(=O)OCC)SC

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC2=NC(=NC=C2C(=O)OCC)SC

InChI

InChI=1S/C18H24N4O2S/c1-5-22(6-2)14-10-8-13(9-11-14)20-16-15(17(23)24-7-3)12-19-18(21-16)25-4/h8-12H,5-7H2,1-4H3,(H,19,20,21)