N-[2-(4-ethoxyphenyl)ethyl]-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide

Systemtic Name: N-[2-(4-ethoxyphenyl)ethyl]-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide Openeye Name: N-[2-(4-ethoxyphenyl)ethyl]-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide CAS Name: N-[2-(4-ethoxyphenyl)ethyl]-2-(methylthio)-4-propyl-5-pyrimidinecarboxamide IUPAC Name: N-[2-(4-ethoxyphenyl)ethyl]-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide Traditional Name: 2-(methylthio)-N-(2-p-phenetylethyl)-4-propyl-pyrimidine-5-carboxamide Formula: C19H25N3O2S MolecularWeight: 359.4857

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC=C1C(=O)NCCC2=CC=C(C=C2)OCC)SC

Isomeric SMILES

CCCC1=NC(=NC=C1C(=O)NCCC2=CC=C(C=C2)OCC)SC

InChI

InChI=1S/C19H25N3O2S/c1-4-6-17-16(13-21-19(22-17)25-3)18(23)20-12-11-14-7-9-15(10-8-14)24-5-2/h7-10,13H,4-6,11-12H2,1-3H3,(H,20,23)