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

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-2-(methylthio)-4-propyl-5-pyrimidinecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-2-(methylthio)-4-propyl-pyrimidine-5-carboxamide Formula: C17H20ClN3OS MolecularWeight: 349.8782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3OS/c1-3-4-15-14(11-20-17(21-15)23-2)16(22)19-10-9-12-5-7-13(18)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,22)