4-ethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-methylsulfanyl-pyrimidine-5-carboxamide

Systemtic Name: 4-ethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-methylsulfanyl-pyrimidine-5-carboxamide Openeye Name: 4-ethyl-N-[4-(4-methyl-1-piperidyl)phenyl]-2-methylsulfanyl-pyrimidine-5-carboxamide CAS Name: 4-ethyl-N-[4-(4-methyl-1-piperidinyl)phenyl]-2-(methylthio)-5-pyrimidinecarboxamide IUPAC Name: 4-ethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-methylsulfanylpyrimidine-5-carboxamide Traditional Name: 4-ethyl-N-[4-(4-methylpiperidino)phenyl]-2-(methylthio)pyrimidine-5-carboxamide Formula: C20H26N4OS MolecularWeight: 370.51164

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NC=C1C(=O)NC2=CC=C(C=C2)N3CCC(CC3)C)SC

Isomeric SMILES

CCC1=NC(=NC=C1C(=O)NC2=CC=C(C=C2)N3CCC(CC3)C)SC

InChI

InChI=1S/C20H26N4OS/c1-4-18-17(13-21-20(23-18)26-3)19(25)22-15-5-7-16(8-6-15)24-11-9-14(2)10-12-24/h5-8,13-14H,4,9-12H2,1-3H3,(H,22,25)