ethyl 4-ethyl-6-[2-[4-(2-methylsulfanylethyl)phenyl]ethylamino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-ethyl-6-[2-[4-(2-methylsulfanylethyl)phenyl]ethylamino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-ethyl-6-[2-[4-(2-methylsulfanylethyl)phenyl]ethylamino]pyrimidine-5-carboxylate CAS Name: 4-ethyl-6-[2-[4-[2-(methylthio)ethyl]phenyl]ethylamino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-6-[2-[4-(2-methylsulfanylethyl)phenyl]ethylamino]pyrimidine-5-carboxylate Traditional Name: 4-ethyl-6-[2-[4-[2-(methylthio)ethyl]phenyl]ethylamino]pyrimidine-5-carboxylic acid ethyl ester Formula: C20H27N3O2S MolecularWeight: 373.51228

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC=N1)NCCC2=CC=C(C=C2)CCSC)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC=N1)NCCC2=CC=C(C=C2)CCSC)C(=O)OCC

InChI

InChI=1S/C20H27N3O2S/c1-4-17-18(20(24)25-5-2)19(23-14-22-17)21-12-10-15-6-8-16(9-7-15)11-13-26-3/h6-9,14H,4-5,10-13H2,1-3H3,(H,21,22,23)