N-[2-(3,4-diethoxyphenyl)ethyl]-4-ethyl-2-methylsulfanyl-pyrimidine-5-carboxamide

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-ethyl-2-methylsulfanyl-pyrimidine-5-carboxamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-ethyl-2-methylsulfanyl-pyrimidine-5-carboxamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-ethyl-2-(methylthio)-5-pyrimidinecarboxamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-ethyl-2-methylsulfanylpyrimidine-5-carboxamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-ethyl-2-(methylthio)pyrimidine-5-carboxamide Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NC=C1C(=O)NCCC2=CC(=C(C=C2)OCC)OCC)SC

Isomeric SMILES

CCC1=NC(=NC=C1C(=O)NCCC2=CC(=C(C=C2)OCC)OCC)SC

InChI

InChI=1S/C20H27N3O3S/c1-5-16-15(13-22-20(23-16)27-4)19(24)21-11-10-14-8-9-17(25-6-2)18(12-14)26-7-3/h8-9,12-13H,5-7,10-11H2,1-4H3,(H,21,24)