ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-ethyl-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-ethyl-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-ethyl-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-ethyl-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-ethyl-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-ethyl-6-(homoveratrylamino)-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O4S/c1-6-14-17(19(24)27-7-2)18(23-20(22-14)28-5)21-11-10-13-8-9-15(25-3)16(12-13)26-4/h8-9,12H,6-7,10-11H2,1-5H3,(H,21,22,23)