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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethyl-2-methylsulfanyl-pyrimidine-5-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethyl-2-methylsulfanyl-pyrimidine-5-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethyl-2-(methylthio)-5-pyrimidinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethyl-2-methylsulfanylpyrimidine-5-carboxamide Traditional Name: 4-ethyl-N-homoveratryl-2-(methylthio)pyrimidine-5-carboxamide Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3S/c1-5-14-13(11-20-18(21-14)25-4)17(22)19-9-8-12-6-7-15(23-2)16(10-12)24-3/h6-7,10-11H,5,8-9H2,1-4H3,(H,19,22)