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

Systemtic Name: 5-chloranyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[[4-[(2-methyl-1-piperidyl)methyl]phenyl]methyl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[[4-[(2-methyl-1-piperidinyl)methyl]phenyl]methyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[4-[(2-methylpiperidino)methyl]benzyl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C20H25ClN4OS MolecularWeight: 404.9567

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CC2=CC=C(C=C2)CNC(=O)C3=NC(=NC=C3Cl)SC

Isomeric SMILES

CC1CCCCN1CC2=CC=C(C=C2)CNC(=O)C3=NC(=NC=C3Cl)SC

InChI

InChI=1S/C20H25ClN4OS/c1-14-5-3-4-10-25(14)13-16-8-6-15(7-9-16)11-22-19(26)18-17(21)12-23-20(24-18)27-2/h6-9,12,14H,3-5,10-11,13H2,1-2H3,(H,22,26)