ethyl 2-methylsulfanyl-4-[(4-piperidin-1-ylphenyl)amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-4-[(4-piperidin-1-ylphenyl)amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-[4-(1-piperidyl)anilino]pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-[4-(1-piperidinyl)anilino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-(4-piperidin-1-ylanilino)pyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-(4-piperidinoanilino)pyrimidine-5-carboxylic acid ethyl ester Formula: C19H24N4O2S MolecularWeight: 372.48446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)N3CCCCC3)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)N3CCCCC3)SC

InChI

InChI=1S/C19H24N4O2S/c1-3-25-18(24)16-13-20-19(26-2)22-17(16)21-14-7-9-15(10-8-14)23-11-5-4-6-12-23/h7-10,13H,3-6,11-12H2,1-2H3,(H,20,21,22)