5-chloranyl-2-methylsulfanyl-N-[1-(phenylcarbonyl)piperidin-4-yl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-methylsulfanyl-N-[1-(phenylcarbonyl)piperidin-4-yl]pyrimidine-4-carboxamide Openeye Name: N-(1-benzoyl-4-piperidyl)-5-chloro-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: N-(1-benzoyl-4-piperidinyl)-5-chloro-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: N-(1-benzoylpiperidin-4-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: N-(1-benzoyl-4-piperidyl)-5-chloro-2-(methylthio)pyrimidine-4-carboxamide Formula: C18H19ClN4O2S MolecularWeight: 390.88706

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NC2CCN(CC2)C(=O)C3=CC=CC=C3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NC2CCN(CC2)C(=O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C18H19ClN4O2S/c1-26-18-20-11-14(19)15(22-18)16(24)21-13-7-9-23(10-8-13)17(25)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,21,24)