5-chloranyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[[4-[(3-methyl-1-piperidyl)methyl]phenyl]methyl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[[4-[(3-methyl-1-piperidinyl)methyl]phenyl]methyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[4-[(3-methylpiperidino)methyl]benzyl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C20H25ClN4OS MolecularWeight: 404.9567

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CC2=CC=C(C=C2)CNC(=O)C3=NC(=NC=C3Cl)SC

Isomeric SMILES

CC1CCCN(C1)CC2=CC=C(C=C2)CNC(=O)C3=NC(=NC=C3Cl)SC

InChI

InChI=1S/C20H25ClN4OS/c1-14-4-3-9-25(12-14)13-16-7-5-15(6-8-16)10-22-19(26)18-17(21)11-23-20(24-18)27-2/h5-8,11,14H,3-4,9-10,12-13H2,1-2H3,(H,22,26)